USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.0361 USER MOD Set 2.1: A 61 GLN : amide:sc= 0.495 K(o=0.7,f=-0.38) USER MOD Set 2.2: A 83 SER OG : rot 150:sc= 0.207 USER MOD Set 3.1: A 55 HIS :FLIP no HE2:sc= 0.04 F(o=-0.46,f=0.055) USER MOD Set 3.2: A 58 ASN :FLIP amide:sc= 0.015 F(o=-2,f=0.055) USER MOD Set 4.1: A 37 CYS SG : rot 62:sc= -1.33 USER MOD Set 4.2: A 51 HIS : no HD1:sc= -6.31! C(o=-7.6!,f=-8.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -151:sc= -5.57! (180deg=-6.13!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.00496 USER MOD Single : A 18 SER OG : rot -46:sc= 0.12 USER MOD Single : A 19 MET CE :methyl 159:sc= -0.0248 (180deg=-0.831) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -165:sc= -1.19 (180deg=-1.29) USER MOD Single : A 25 MET CE :methyl -172:sc= 0 (180deg=-0.102) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.165 X(o=0.16,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.543 X(o=-0.54,f=-1) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -5.73! C(o=-5.7!,f=-8.2!) USER MOD Single : A 49 CYS SG : rot 149:sc= 0.946 USER MOD Single : A 64 MET CE :methyl 180:sc= -0.875 (180deg=-0.875) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 67:sc= 0.507 USER MOD Single : A 75 ASN : amide:sc= -4.7! C(o=-4.7!,f=-10!) USER MOD Single : A 80 LYS NZ :NH3+ -128:sc= -1.35 (180deg=-4.6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00639) USER MOD Single : A 98 ASN : amide:sc=-0.00435 X(o=-0.0044,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.639 8.997 -24.741 1.00 0.00 N ATOM 2 CA GLY A 1 4.800 8.277 -23.801 1.00 0.00 C ATOM 3 C GLY A 1 4.109 7.086 -24.435 1.00 0.00 C ATOM 4 O GLY A 1 4.722 6.334 -25.192 1.00 0.00 O ATOM 0 H1 GLY A 1 6.089 9.802 -24.259 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.373 8.360 -25.110 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.057 9.347 -25.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.408 7.937 -22.963 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.049 8.955 -23.395 1.00 0.00 H new ATOM 8 N SER A 2 2.828 6.914 -24.125 1.00 0.00 N ATOM 9 CA SER A 2 2.053 5.803 -24.666 1.00 0.00 C ATOM 10 C SER A 2 0.940 6.310 -25.578 1.00 0.00 C ATOM 11 O SER A 2 0.065 7.062 -25.149 1.00 0.00 O ATOM 12 CB SER A 2 1.457 4.968 -23.530 1.00 0.00 C ATOM 13 OG SER A 2 2.424 4.090 -22.982 1.00 0.00 O ATOM 0 H SER A 2 2.305 7.529 -23.502 1.00 0.00 H new ATOM 0 HA SER A 2 2.724 5.177 -25.254 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.077 5.628 -22.750 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.609 4.393 -23.903 1.00 0.00 H new ATOM 0 HG SER A 2 2.019 3.569 -22.257 1.00 0.00 H new ATOM 19 N SER A 3 0.981 5.892 -26.839 1.00 0.00 N ATOM 20 CA SER A 3 -0.022 6.306 -27.814 1.00 0.00 C ATOM 21 C SER A 3 -1.429 6.156 -27.243 1.00 0.00 C ATOM 22 O SER A 3 -1.655 5.384 -26.313 1.00 0.00 O ATOM 23 CB SER A 3 0.111 5.480 -29.095 1.00 0.00 C ATOM 24 OG SER A 3 -0.589 6.087 -30.168 1.00 0.00 O ATOM 0 H SER A 3 1.697 5.267 -27.210 1.00 0.00 H new ATOM 0 HA SER A 3 0.146 7.357 -28.048 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.164 5.375 -29.356 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.277 4.475 -28.926 1.00 0.00 H new ATOM 0 HG SER A 3 -0.487 5.541 -30.975 1.00 0.00 H new ATOM 30 N GLY A 4 -2.372 6.904 -27.809 1.00 0.00 N ATOM 31 CA GLY A 4 -3.746 6.841 -27.344 1.00 0.00 C ATOM 32 C GLY A 4 -4.672 7.727 -28.153 1.00 0.00 C ATOM 33 O GLY A 4 -4.380 8.902 -28.376 1.00 0.00 O ATOM 0 H GLY A 4 -2.209 7.552 -28.580 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.097 5.810 -27.396 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.786 7.139 -26.296 1.00 0.00 H new ATOM 37 N SER A 5 -5.792 7.163 -28.594 1.00 0.00 N ATOM 38 CA SER A 5 -6.762 7.909 -29.388 1.00 0.00 C ATOM 39 C SER A 5 -7.649 8.770 -28.493 1.00 0.00 C ATOM 40 O SER A 5 -7.714 9.988 -28.653 1.00 0.00 O ATOM 41 CB SER A 5 -7.625 6.950 -30.210 1.00 0.00 C ATOM 42 OG SER A 5 -8.214 7.614 -31.315 1.00 0.00 O ATOM 0 H SER A 5 -6.050 6.193 -28.415 1.00 0.00 H new ATOM 0 HA SER A 5 -6.214 8.564 -30.065 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.015 6.119 -30.564 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.405 6.526 -29.578 1.00 0.00 H new ATOM 0 HG SER A 5 -8.759 6.979 -31.825 1.00 0.00 H new ATOM 48 N SER A 6 -8.330 8.126 -27.551 1.00 0.00 N ATOM 49 CA SER A 6 -9.217 8.830 -26.632 1.00 0.00 C ATOM 50 C SER A 6 -8.423 9.744 -25.704 1.00 0.00 C ATOM 51 O SER A 6 -8.602 10.961 -25.711 1.00 0.00 O ATOM 52 CB SER A 6 -10.031 7.830 -25.808 1.00 0.00 C ATOM 53 OG SER A 6 -11.149 7.357 -26.540 1.00 0.00 O ATOM 0 H SER A 6 -8.285 7.118 -27.404 1.00 0.00 H new ATOM 0 HA SER A 6 -9.898 9.443 -27.222 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.398 6.990 -25.521 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.370 8.304 -24.886 1.00 0.00 H new ATOM 0 HG SER A 6 -11.652 6.718 -25.993 1.00 0.00 H new ATOM 59 N GLY A 7 -7.543 9.147 -24.906 1.00 0.00 N ATOM 60 CA GLY A 7 -6.734 9.921 -23.983 1.00 0.00 C ATOM 61 C GLY A 7 -6.361 9.136 -22.741 1.00 0.00 C ATOM 62 O GLY A 7 -7.188 8.942 -21.850 1.00 0.00 O ATOM 0 H GLY A 7 -7.376 8.141 -24.882 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.826 10.249 -24.488 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.279 10.819 -23.692 1.00 0.00 H new ATOM 66 N ARG A 8 -5.113 8.683 -22.681 1.00 0.00 N ATOM 67 CA ARG A 8 -4.633 7.912 -21.541 1.00 0.00 C ATOM 68 C ARG A 8 -3.110 7.956 -21.457 1.00 0.00 C ATOM 69 O ARG A 8 -2.420 7.893 -22.474 1.00 0.00 O ATOM 70 CB ARG A 8 -5.108 6.461 -21.642 1.00 0.00 C ATOM 71 CG ARG A 8 -4.566 5.727 -22.858 1.00 0.00 C ATOM 72 CD ARG A 8 -5.131 4.319 -22.955 1.00 0.00 C ATOM 73 NE ARG A 8 -5.047 3.788 -24.314 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.032 2.491 -24.596 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.096 1.596 -23.620 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.954 2.086 -25.857 1.00 0.00 N ATOM 0 H ARG A 8 -4.416 8.837 -23.409 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.042 8.358 -20.635 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.808 5.926 -20.741 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.197 6.445 -21.674 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.815 6.283 -23.761 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.478 5.681 -22.802 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.588 3.663 -22.275 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.172 4.323 -22.631 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.997 4.450 -25.088 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.157 1.903 -22.649 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.084 0.600 -23.840 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.905 2.772 -26.611 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.943 1.089 -26.073 1.00 0.00 H new ATOM 90 N PHE A 9 -2.593 8.065 -20.237 1.00 0.00 N ATOM 91 CA PHE A 9 -1.152 8.119 -20.020 1.00 0.00 C ATOM 92 C PHE A 9 -0.793 7.615 -18.626 1.00 0.00 C ATOM 93 O PHE A 9 -1.332 8.086 -17.624 1.00 0.00 O ATOM 94 CB PHE A 9 -0.640 9.549 -20.205 1.00 0.00 C ATOM 95 CG PHE A 9 -0.898 10.106 -21.576 1.00 0.00 C ATOM 96 CD1 PHE A 9 0.011 9.906 -22.602 1.00 0.00 C ATOM 97 CD2 PHE A 9 -2.050 10.830 -21.839 1.00 0.00 C ATOM 98 CE1 PHE A 9 -0.223 10.416 -23.865 1.00 0.00 C ATOM 99 CE2 PHE A 9 -2.290 11.342 -23.100 1.00 0.00 C ATOM 100 CZ PHE A 9 -1.375 11.136 -24.114 1.00 0.00 C ATOM 0 H PHE A 9 -3.150 8.118 -19.384 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.675 7.472 -20.756 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.113 10.194 -19.465 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.432 9.571 -20.009 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.914 9.344 -22.413 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.768 10.996 -21.050 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.494 10.252 -24.656 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.193 11.903 -23.293 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.560 11.537 -25.100 1.00 0.00 H new ATOM 110 N THR A 10 0.122 6.652 -18.569 1.00 0.00 N ATOM 111 CA THR A 10 0.553 6.081 -17.299 1.00 0.00 C ATOM 112 C THR A 10 1.175 7.144 -16.401 1.00 0.00 C ATOM 113 O THR A 10 1.215 8.323 -16.755 1.00 0.00 O ATOM 114 CB THR A 10 1.570 4.944 -17.510 1.00 0.00 C ATOM 115 OG1 THR A 10 2.654 5.402 -18.326 1.00 0.00 O ATOM 116 CG2 THR A 10 0.909 3.741 -18.165 1.00 0.00 C ATOM 0 H THR A 10 0.579 6.251 -19.388 1.00 0.00 H new ATOM 0 HA THR A 10 -0.337 5.677 -16.816 1.00 0.00 H new ATOM 0 HB THR A 10 1.952 4.642 -16.535 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.297 4.674 -18.454 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.647 2.951 -18.304 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.103 3.377 -17.528 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.502 4.032 -19.134 1.00 0.00 H new ATOM 124 N TRP A 11 1.660 6.721 -15.239 1.00 0.00 N ATOM 125 CA TRP A 11 2.281 7.639 -14.291 1.00 0.00 C ATOM 126 C TRP A 11 3.775 7.361 -14.164 1.00 0.00 C ATOM 127 O TRP A 11 4.218 6.221 -14.306 1.00 0.00 O ATOM 128 CB TRP A 11 1.610 7.521 -12.921 1.00 0.00 C ATOM 129 CG TRP A 11 1.088 6.146 -12.632 1.00 0.00 C ATOM 130 CD1 TRP A 11 0.045 5.519 -13.252 1.00 0.00 C ATOM 131 CD2 TRP A 11 1.583 5.231 -11.649 1.00 0.00 C ATOM 132 NE1 TRP A 11 -0.138 4.268 -12.712 1.00 0.00 N ATOM 133 CE2 TRP A 11 0.793 4.067 -11.728 1.00 0.00 C ATOM 134 CE3 TRP A 11 2.617 5.280 -10.710 1.00 0.00 C ATOM 135 CZ2 TRP A 11 1.006 2.966 -10.904 1.00 0.00 C ATOM 136 CZ3 TRP A 11 2.827 4.186 -9.893 1.00 0.00 C ATOM 137 CH2 TRP A 11 2.026 3.041 -9.994 1.00 0.00 C ATOM 0 H TRP A 11 1.635 5.749 -14.931 1.00 0.00 H new ATOM 0 HA TRP A 11 2.149 8.654 -14.666 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.326 7.800 -12.148 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.787 8.234 -12.865 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.548 5.943 -14.049 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -0.852 3.598 -12.998 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.241 6.158 -10.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.388 2.083 -10.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.623 4.214 -9.163 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.217 2.202 -9.342 1.00 0.00 H new ATOM 148 N SER A 12 4.547 8.409 -13.896 1.00 0.00 N ATOM 149 CA SER A 12 5.992 8.278 -13.754 1.00 0.00 C ATOM 150 C SER A 12 6.396 8.283 -12.283 1.00 0.00 C ATOM 151 O SER A 12 5.546 8.334 -11.395 1.00 0.00 O ATOM 152 CB SER A 12 6.704 9.412 -14.493 1.00 0.00 C ATOM 153 OG SER A 12 6.726 9.175 -15.890 1.00 0.00 O ATOM 0 H SER A 12 4.196 9.359 -13.773 1.00 0.00 H new ATOM 0 HA SER A 12 6.290 7.325 -14.192 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.200 10.356 -14.289 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.724 9.509 -14.121 1.00 0.00 H new ATOM 0 HG SER A 12 7.185 9.915 -16.340 1.00 0.00 H new ATOM 159 N MET A 13 7.700 8.229 -12.033 1.00 0.00 N ATOM 160 CA MET A 13 8.218 8.228 -10.670 1.00 0.00 C ATOM 161 C MET A 13 9.378 9.209 -10.528 1.00 0.00 C ATOM 162 O MET A 13 10.093 9.484 -11.492 1.00 0.00 O ATOM 163 CB MET A 13 8.673 6.822 -10.275 1.00 0.00 C ATOM 164 CG MET A 13 9.057 6.696 -8.810 1.00 0.00 C ATOM 165 SD MET A 13 7.825 7.411 -7.705 1.00 0.00 S ATOM 166 CE MET A 13 8.776 7.572 -6.196 1.00 0.00 C ATOM 0 H MET A 13 8.417 8.185 -12.757 1.00 0.00 H new ATOM 0 HA MET A 13 7.415 8.543 -10.003 1.00 0.00 H new ATOM 0 HB2 MET A 13 7.873 6.115 -10.494 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.526 6.539 -10.891 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.193 5.643 -8.563 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.016 7.188 -8.646 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.110 7.495 -5.336 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.522 6.779 -6.150 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.275 8.541 -6.182 1.00 0.00 H new ATOM 176 N LYS A 14 9.559 9.734 -9.321 1.00 0.00 N ATOM 177 CA LYS A 14 10.632 10.683 -9.052 1.00 0.00 C ATOM 178 C LYS A 14 11.439 10.260 -7.829 1.00 0.00 C ATOM 179 O LYS A 14 12.625 9.943 -7.934 1.00 0.00 O ATOM 180 CB LYS A 14 10.058 12.086 -8.838 1.00 0.00 C ATOM 181 CG LYS A 14 9.791 12.838 -10.130 1.00 0.00 C ATOM 182 CD LYS A 14 9.026 14.126 -9.877 1.00 0.00 C ATOM 183 CE LYS A 14 9.955 15.251 -9.445 1.00 0.00 C ATOM 184 NZ LYS A 14 10.589 15.925 -10.611 1.00 0.00 N ATOM 0 H LYS A 14 8.976 9.518 -8.513 1.00 0.00 H new ATOM 0 HA LYS A 14 11.296 10.697 -9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.128 12.007 -8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.752 12.664 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.737 13.066 -10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.223 12.204 -10.811 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.495 14.419 -10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.273 13.958 -9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.394 15.983 -8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.730 14.851 -8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.214 16.685 -10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.146 15.233 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.851 16.329 -11.222 1.00 0.00 H new ATOM 198 N THR A 15 10.789 10.255 -6.669 1.00 0.00 N ATOM 199 CA THR A 15 11.446 9.871 -5.427 1.00 0.00 C ATOM 200 C THR A 15 12.171 8.538 -5.578 1.00 0.00 C ATOM 201 O THR A 15 11.744 7.669 -6.339 1.00 0.00 O ATOM 202 CB THR A 15 10.438 9.765 -4.267 1.00 0.00 C ATOM 203 OG1 THR A 15 9.937 11.064 -3.934 1.00 0.00 O ATOM 204 CG2 THR A 15 11.085 9.136 -3.043 1.00 0.00 C ATOM 0 H THR A 15 9.808 10.513 -6.565 1.00 0.00 H new ATOM 0 HA THR A 15 12.171 10.652 -5.198 1.00 0.00 H new ATOM 0 HB THR A 15 9.613 9.129 -4.589 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.296 10.988 -3.197 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.354 9.072 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.439 8.136 -3.292 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.927 9.749 -2.721 1.00 0.00 H new ATOM 212 N THR A 16 13.271 8.382 -4.847 1.00 0.00 N ATOM 213 CA THR A 16 14.056 7.155 -4.901 1.00 0.00 C ATOM 214 C THR A 16 14.934 7.010 -3.663 1.00 0.00 C ATOM 215 O THR A 16 15.378 8.003 -3.085 1.00 0.00 O ATOM 216 CB THR A 16 14.947 7.112 -6.156 1.00 0.00 C ATOM 217 OG1 THR A 16 15.319 8.441 -6.539 1.00 0.00 O ATOM 218 CG2 THR A 16 14.225 6.430 -7.309 1.00 0.00 C ATOM 0 H THR A 16 13.638 9.090 -4.211 1.00 0.00 H new ATOM 0 HA THR A 16 13.347 6.328 -4.940 1.00 0.00 H new ATOM 0 HB THR A 16 15.843 6.539 -5.919 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.887 8.405 -7.337 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.874 6.411 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.969 5.409 -7.025 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.314 6.980 -7.544 1.00 0.00 H new ATOM 226 N SER A 17 15.183 5.768 -3.262 1.00 0.00 N ATOM 227 CA SER A 17 16.006 5.493 -2.090 1.00 0.00 C ATOM 228 C SER A 17 16.812 4.212 -2.281 1.00 0.00 C ATOM 229 O SER A 17 16.340 3.254 -2.892 1.00 0.00 O ATOM 230 CB SER A 17 15.131 5.378 -0.841 1.00 0.00 C ATOM 231 OG SER A 17 15.923 5.250 0.327 1.00 0.00 O ATOM 0 H SER A 17 14.827 4.936 -3.732 1.00 0.00 H new ATOM 0 HA SER A 17 16.701 6.323 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.494 6.258 -0.757 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.472 4.515 -0.933 1.00 0.00 H new ATOM 0 HG SER A 17 15.340 5.180 1.112 1.00 0.00 H new ATOM 237 N SER A 18 18.032 4.204 -1.752 1.00 0.00 N ATOM 238 CA SER A 18 18.907 3.043 -1.867 1.00 0.00 C ATOM 239 C SER A 18 18.903 2.230 -0.575 1.00 0.00 C ATOM 240 O SER A 18 19.665 1.275 -0.428 1.00 0.00 O ATOM 241 CB SER A 18 20.333 3.483 -2.202 1.00 0.00 C ATOM 242 OG SER A 18 21.086 2.409 -2.738 1.00 0.00 O ATOM 0 H SER A 18 18.436 4.988 -1.240 1.00 0.00 H new ATOM 0 HA SER A 18 18.531 2.414 -2.673 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.305 4.304 -2.918 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.821 3.860 -1.303 1.00 0.00 H new ATOM 0 HG SER A 18 20.944 1.606 -2.194 1.00 0.00 H new ATOM 248 N MET A 19 18.040 2.618 0.358 1.00 0.00 N ATOM 249 CA MET A 19 17.936 1.926 1.637 1.00 0.00 C ATOM 250 C MET A 19 17.099 0.657 1.502 1.00 0.00 C ATOM 251 O MET A 19 16.200 0.582 0.664 1.00 0.00 O ATOM 252 CB MET A 19 17.319 2.847 2.691 1.00 0.00 C ATOM 253 CG MET A 19 16.959 2.135 3.985 1.00 0.00 C ATOM 254 SD MET A 19 16.783 3.269 5.376 1.00 0.00 S ATOM 255 CE MET A 19 15.052 3.707 5.238 1.00 0.00 C ATOM 0 H MET A 19 17.403 3.408 0.252 1.00 0.00 H new ATOM 0 HA MET A 19 18.941 1.646 1.953 1.00 0.00 H new ATOM 0 HB2 MET A 19 18.019 3.653 2.912 1.00 0.00 H new ATOM 0 HB3 MET A 19 16.422 3.308 2.278 1.00 0.00 H new ATOM 0 HG2 MET A 19 16.026 1.588 3.847 1.00 0.00 H new ATOM 0 HG3 MET A 19 17.729 1.399 4.216 1.00 0.00 H new ATOM 0 HE1 MET A 19 14.694 4.083 6.197 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.931 4.479 4.478 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.475 2.826 4.955 1.00 0.00 H new ATOM 265 N ASP A 20 17.401 -0.336 2.330 1.00 0.00 N ATOM 266 CA ASP A 20 16.677 -1.601 2.304 1.00 0.00 C ATOM 267 C ASP A 20 15.170 -1.364 2.301 1.00 0.00 C ATOM 268 O ASP A 20 14.664 -0.422 2.911 1.00 0.00 O ATOM 269 CB ASP A 20 17.068 -2.463 3.505 1.00 0.00 C ATOM 270 CG ASP A 20 18.555 -2.754 3.549 1.00 0.00 C ATOM 271 OD1 ASP A 20 19.001 -3.673 2.831 1.00 0.00 O ATOM 272 OD2 ASP A 20 19.272 -2.063 4.301 1.00 0.00 O ATOM 0 H ASP A 20 18.143 -0.289 3.028 1.00 0.00 H new ATOM 0 HA ASP A 20 16.946 -2.126 1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.773 -1.956 4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.518 -3.403 3.468 1.00 0.00 H new ATOM 277 N PRO A 21 14.434 -2.237 1.598 1.00 0.00 N ATOM 278 CA PRO A 21 12.975 -2.144 1.498 1.00 0.00 C ATOM 279 C PRO A 21 12.281 -2.472 2.816 1.00 0.00 C ATOM 280 O PRO A 21 11.229 -1.916 3.129 1.00 0.00 O ATOM 281 CB PRO A 21 12.624 -3.188 0.435 1.00 0.00 C ATOM 282 CG PRO A 21 13.741 -4.172 0.488 1.00 0.00 C ATOM 283 CD PRO A 21 14.971 -3.384 0.846 1.00 0.00 C ATOM 0 HA PRO A 21 12.648 -1.135 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.667 -3.664 0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.542 -2.735 -0.553 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.544 -4.946 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.865 -4.674 -0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.663 -3.971 1.449 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.515 -3.063 -0.042 1.00 0.00 H new ATOM 291 N SER A 22 12.878 -3.377 3.584 1.00 0.00 N ATOM 292 CA SER A 22 12.316 -3.781 4.867 1.00 0.00 C ATOM 293 C SER A 22 12.117 -2.573 5.778 1.00 0.00 C ATOM 294 O SER A 22 11.287 -2.598 6.687 1.00 0.00 O ATOM 295 CB SER A 22 13.228 -4.803 5.549 1.00 0.00 C ATOM 296 OG SER A 22 12.582 -5.404 6.658 1.00 0.00 O ATOM 0 H SER A 22 13.751 -3.845 3.340 1.00 0.00 H new ATOM 0 HA SER A 22 11.344 -4.239 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.517 -5.572 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.144 -4.314 5.879 1.00 0.00 H new ATOM 0 HG SER A 22 13.185 -6.054 7.075 1.00 0.00 H new ATOM 302 N ASP A 23 12.883 -1.518 5.526 1.00 0.00 N ATOM 303 CA ASP A 23 12.792 -0.299 6.321 1.00 0.00 C ATOM 304 C ASP A 23 11.760 0.657 5.733 1.00 0.00 C ATOM 305 O ASP A 23 11.101 1.400 6.460 1.00 0.00 O ATOM 306 CB ASP A 23 14.156 0.388 6.400 1.00 0.00 C ATOM 307 CG ASP A 23 15.135 -0.367 7.277 1.00 0.00 C ATOM 308 OD1 ASP A 23 15.416 -1.546 6.975 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.620 0.221 8.266 1.00 0.00 O ATOM 0 H ASP A 23 13.574 -1.482 4.777 1.00 0.00 H new ATOM 0 HA ASP A 23 12.475 -0.574 7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.570 0.483 5.396 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.029 1.398 6.789 1.00 0.00 H new ATOM 314 N MET A 24 11.625 0.634 4.411 1.00 0.00 N ATOM 315 CA MET A 24 10.673 1.500 3.725 1.00 0.00 C ATOM 316 C MET A 24 9.240 1.136 4.099 1.00 0.00 C ATOM 317 O MET A 24 8.530 1.930 4.716 1.00 0.00 O ATOM 318 CB MET A 24 10.858 1.397 2.209 1.00 0.00 C ATOM 319 CG MET A 24 11.860 2.394 1.651 1.00 0.00 C ATOM 320 SD MET A 24 12.271 2.073 -0.075 1.00 0.00 S ATOM 321 CE MET A 24 10.958 2.963 -0.907 1.00 0.00 C ATOM 0 H MET A 24 12.163 0.025 3.794 1.00 0.00 H new ATOM 0 HA MET A 24 10.862 2.527 4.039 1.00 0.00 H new ATOM 0 HB2 MET A 24 11.184 0.388 1.959 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.895 1.551 1.722 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.454 3.401 1.742 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.771 2.362 2.249 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.910 2.650 -1.950 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.007 2.748 -0.420 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.156 4.034 -0.858 1.00 0.00 H new ATOM 331 N MET A 25 8.822 -0.067 3.722 1.00 0.00 N ATOM 332 CA MET A 25 7.473 -0.536 4.020 1.00 0.00 C ATOM 333 C MET A 25 7.053 -0.124 5.427 1.00 0.00 C ATOM 334 O MET A 25 5.894 0.217 5.665 1.00 0.00 O ATOM 335 CB MET A 25 7.395 -2.057 3.876 1.00 0.00 C ATOM 336 CG MET A 25 7.022 -2.516 2.475 1.00 0.00 C ATOM 337 SD MET A 25 5.337 -2.064 2.021 1.00 0.00 S ATOM 338 CE MET A 25 4.461 -3.574 2.424 1.00 0.00 C ATOM 0 H MET A 25 9.397 -0.735 3.210 1.00 0.00 H new ATOM 0 HA MET A 25 6.789 -0.076 3.307 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.358 -2.489 4.147 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.662 -2.444 4.584 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.717 -2.080 1.757 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.134 -3.598 2.410 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.433 -3.504 2.068 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.954 -4.420 1.945 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.462 -3.718 3.504 1.00 0.00 H new ATOM 348 N ARG A 26 8.002 -0.159 6.357 1.00 0.00 N ATOM 349 CA ARG A 26 7.730 0.209 7.741 1.00 0.00 C ATOM 350 C ARG A 26 7.537 1.717 7.875 1.00 0.00 C ATOM 351 O ARG A 26 6.508 2.179 8.366 1.00 0.00 O ATOM 352 CB ARG A 26 8.871 -0.253 8.648 1.00 0.00 C ATOM 353 CG ARG A 26 8.796 0.312 10.058 1.00 0.00 C ATOM 354 CD ARG A 26 9.726 -0.430 11.005 1.00 0.00 C ATOM 355 NE ARG A 26 9.733 0.162 12.340 1.00 0.00 N ATOM 356 CZ ARG A 26 10.262 1.350 12.614 1.00 0.00 C ATOM 357 NH1 ARG A 26 10.823 2.068 11.650 1.00 0.00 N ATOM 358 NH2 ARG A 26 10.230 1.822 13.854 1.00 0.00 N ATOM 0 H ARG A 26 8.966 -0.439 6.177 1.00 0.00 H new ATOM 0 HA ARG A 26 6.809 -0.286 8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.863 -1.342 8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.821 0.038 8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.059 1.370 10.042 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.772 0.244 10.424 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.418 -1.473 11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.738 -0.422 10.600 1.00 0.00 H new ATOM 0 HE ARG A 26 9.309 -0.365 13.104 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.849 1.709 10.696 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.228 2.979 11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.799 1.273 14.598 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.636 2.734 14.063 1.00 0.00 H new ATOM 372 N GLU A 27 8.536 2.477 7.435 1.00 0.00 N ATOM 373 CA GLU A 27 8.476 3.932 7.508 1.00 0.00 C ATOM 374 C GLU A 27 7.203 4.458 6.851 1.00 0.00 C ATOM 375 O GLU A 27 6.481 5.268 7.433 1.00 0.00 O ATOM 376 CB GLU A 27 9.703 4.549 6.834 1.00 0.00 C ATOM 377 CG GLU A 27 9.687 6.068 6.814 1.00 0.00 C ATOM 378 CD GLU A 27 8.834 6.629 5.693 1.00 0.00 C ATOM 379 OE1 GLU A 27 8.527 5.875 4.747 1.00 0.00 O ATOM 380 OE2 GLU A 27 8.475 7.823 5.762 1.00 0.00 O ATOM 0 H GLU A 27 9.395 2.110 7.025 1.00 0.00 H new ATOM 0 HA GLU A 27 8.466 4.217 8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.600 4.210 7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.768 4.181 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.312 6.436 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.707 6.437 6.708 1.00 0.00 H new ATOM 387 N ILE A 28 6.935 3.992 5.636 1.00 0.00 N ATOM 388 CA ILE A 28 5.749 4.414 4.901 1.00 0.00 C ATOM 389 C ILE A 28 4.500 4.320 5.771 1.00 0.00 C ATOM 390 O ILE A 28 3.683 5.241 5.802 1.00 0.00 O ATOM 391 CB ILE A 28 5.542 3.566 3.632 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.746 3.704 2.698 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.263 3.981 2.921 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.564 3.005 1.369 1.00 0.00 C ATOM 0 H ILE A 28 7.523 3.322 5.140 1.00 0.00 H new ATOM 0 HA ILE A 28 5.910 5.453 4.612 1.00 0.00 H new ATOM 0 HB ILE A 28 5.450 2.520 3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.937 4.762 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.628 3.300 3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.130 3.373 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.413 3.836 3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.328 5.032 2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.456 3.145 0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.403 1.940 1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.701 3.425 0.852 1.00 0.00 H new ATOM 406 N ARG A 29 4.360 3.203 6.476 1.00 0.00 N ATOM 407 CA ARG A 29 3.211 2.989 7.348 1.00 0.00 C ATOM 408 C ARG A 29 3.254 3.932 8.546 1.00 0.00 C ATOM 409 O ARG A 29 2.217 4.363 9.049 1.00 0.00 O ATOM 410 CB ARG A 29 3.172 1.537 7.829 1.00 0.00 C ATOM 411 CG ARG A 29 2.608 0.570 6.800 1.00 0.00 C ATOM 412 CD ARG A 29 2.550 -0.849 7.343 1.00 0.00 C ATOM 413 NE ARG A 29 1.467 -1.622 6.742 1.00 0.00 N ATOM 414 CZ ARG A 29 1.328 -2.934 6.894 1.00 0.00 C ATOM 415 NH1 ARG A 29 2.198 -3.616 7.626 1.00 0.00 N ATOM 416 NH2 ARG A 29 0.315 -3.567 6.315 1.00 0.00 N ATOM 0 H ARG A 29 5.028 2.432 6.461 1.00 0.00 H new ATOM 0 HA ARG A 29 2.308 3.199 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.182 1.224 8.095 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.571 1.480 8.737 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.608 0.890 6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.225 0.592 5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.500 -1.349 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.416 -0.818 8.424 1.00 0.00 H new ATOM 0 HE ARG A 29 0.779 -1.127 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.977 -3.133 8.074 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.089 -4.624 7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.358 -3.046 5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.209 -4.575 6.432 1.00 0.00 H new ATOM 430 N LYS A 30 4.463 4.248 9.000 1.00 0.00 N ATOM 431 CA LYS A 30 4.643 5.141 10.139 1.00 0.00 C ATOM 432 C LYS A 30 4.156 6.548 9.810 1.00 0.00 C ATOM 433 O LYS A 30 3.389 7.143 10.568 1.00 0.00 O ATOM 434 CB LYS A 30 6.117 5.183 10.552 1.00 0.00 C ATOM 435 CG LYS A 30 6.427 6.245 11.592 1.00 0.00 C ATOM 436 CD LYS A 30 7.882 6.677 11.531 1.00 0.00 C ATOM 437 CE LYS A 30 8.113 7.703 10.433 1.00 0.00 C ATOM 438 NZ LYS A 30 9.546 8.096 10.334 1.00 0.00 N ATOM 0 H LYS A 30 5.332 3.899 8.596 1.00 0.00 H new ATOM 0 HA LYS A 30 4.050 4.756 10.968 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.404 4.207 10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.728 5.363 9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.783 7.110 11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.203 5.858 12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.178 7.098 12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.514 5.806 11.356 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.782 7.294 9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.507 8.587 10.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.662 8.797 9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.856 8.509 11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.122 7.257 10.122 1.00 0.00 H new ATOM 452 N VAL A 31 4.605 7.075 8.676 1.00 0.00 N ATOM 453 CA VAL A 31 4.213 8.412 8.246 1.00 0.00 C ATOM 454 C VAL A 31 2.705 8.503 8.040 1.00 0.00 C ATOM 455 O VAL A 31 2.073 9.489 8.422 1.00 0.00 O ATOM 456 CB VAL A 31 4.923 8.812 6.938 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.217 9.991 6.286 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.385 9.137 7.205 1.00 0.00 C ATOM 0 H VAL A 31 5.241 6.596 8.038 1.00 0.00 H new ATOM 0 HA VAL A 31 4.511 9.099 9.038 1.00 0.00 H new ATOM 0 HB VAL A 31 4.881 7.968 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.733 10.259 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.186 9.718 6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.225 10.842 6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.872 9.418 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.451 9.965 7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.882 8.262 7.624 1.00 0.00 H new ATOM 468 N LEU A 32 2.133 7.468 7.435 1.00 0.00 N ATOM 469 CA LEU A 32 0.697 7.429 7.179 1.00 0.00 C ATOM 470 C LEU A 32 -0.090 7.762 8.442 1.00 0.00 C ATOM 471 O LEU A 32 -1.009 8.580 8.416 1.00 0.00 O ATOM 472 CB LEU A 32 0.289 6.050 6.658 1.00 0.00 C ATOM 473 CG LEU A 32 0.718 5.719 5.228 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.748 4.213 5.015 1.00 0.00 C ATOM 475 CD2 LEU A 32 -0.214 6.383 4.225 1.00 0.00 C ATOM 0 H LEU A 32 2.641 6.645 7.112 1.00 0.00 H new ATOM 0 HA LEU A 32 0.467 8.179 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.704 5.294 7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.796 5.967 6.719 1.00 0.00 H new ATOM 0 HG LEU A 32 1.724 6.107 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.055 3.996 3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.456 3.761 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.246 3.801 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.106 6.137 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.231 6.025 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.185 7.464 4.362 1.00 0.00 H new ATOM 487 N GLY A 33 0.278 7.123 9.549 1.00 0.00 N ATOM 488 CA GLY A 33 -0.403 7.366 10.807 1.00 0.00 C ATOM 489 C GLY A 33 -0.350 8.823 11.223 1.00 0.00 C ATOM 490 O GLY A 33 -1.277 9.328 11.855 1.00 0.00 O ATOM 0 H GLY A 33 1.036 6.442 9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.444 7.054 10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.049 6.752 11.586 1.00 0.00 H new ATOM 494 N ALA A 34 0.738 9.498 10.869 1.00 0.00 N ATOM 495 CA ALA A 34 0.908 10.905 11.209 1.00 0.00 C ATOM 496 C ALA A 34 -0.096 11.776 10.462 1.00 0.00 C ATOM 497 O ALA A 34 -0.571 12.782 10.987 1.00 0.00 O ATOM 498 CB ALA A 34 2.329 11.354 10.903 1.00 0.00 C ATOM 0 H ALA A 34 1.515 9.093 10.347 1.00 0.00 H new ATOM 0 HA ALA A 34 0.724 11.019 12.277 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.442 12.407 11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.032 10.760 11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.533 11.218 9.841 1.00 0.00 H new ATOM 504 N ASN A 35 -0.415 11.382 9.233 1.00 0.00 N ATOM 505 CA ASN A 35 -1.362 12.128 8.413 1.00 0.00 C ATOM 506 C ASN A 35 -2.747 11.491 8.466 1.00 0.00 C ATOM 507 O ASN A 35 -3.463 11.453 7.466 1.00 0.00 O ATOM 508 CB ASN A 35 -0.874 12.194 6.964 1.00 0.00 C ATOM 509 CG ASN A 35 0.466 12.892 6.837 1.00 0.00 C ATOM 510 OD1 ASN A 35 0.530 14.103 6.627 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.545 12.129 6.963 1.00 0.00 N ATOM 0 H ASN A 35 -0.031 10.551 8.784 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.431 13.140 8.812 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.793 11.183 6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.613 12.719 6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.474 12.543 6.886 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.445 11.129 7.137 1.00 0.00 H new ATOM 518 N ASN A 36 -3.119 10.992 9.640 1.00 0.00 N ATOM 519 CA ASN A 36 -4.418 10.356 9.825 1.00 0.00 C ATOM 520 C ASN A 36 -4.842 9.609 8.563 1.00 0.00 C ATOM 521 O ASN A 36 -5.960 9.780 8.075 1.00 0.00 O ATOM 522 CB ASN A 36 -5.474 11.402 10.190 1.00 0.00 C ATOM 523 CG ASN A 36 -6.831 10.783 10.461 1.00 0.00 C ATOM 524 OD1 ASN A 36 -6.928 9.691 11.020 1.00 0.00 O ATOM 525 ND2 ASN A 36 -7.889 11.480 10.063 1.00 0.00 N ATOM 0 H ASN A 36 -2.539 11.016 10.478 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.330 9.638 10.640 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.146 11.953 11.072 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.563 12.124 9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.828 11.114 10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.762 12.382 9.603 1.00 0.00 H new ATOM 532 N CYS A 37 -3.943 8.782 8.043 1.00 0.00 N ATOM 533 CA CYS A 37 -4.223 8.009 6.838 1.00 0.00 C ATOM 534 C CYS A 37 -4.390 6.529 7.169 1.00 0.00 C ATOM 535 O CYS A 37 -3.797 6.025 8.122 1.00 0.00 O ATOM 536 CB CYS A 37 -3.099 8.191 5.817 1.00 0.00 C ATOM 537 SG CYS A 37 -3.242 9.695 4.823 1.00 0.00 S ATOM 0 H CYS A 37 -3.014 8.629 8.436 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.156 8.375 6.410 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.144 8.205 6.342 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.084 7.328 5.151 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.171 10.736 5.598 1.00 0.00 H new ATOM 543 N ASP A 38 -5.203 5.840 6.376 1.00 0.00 N ATOM 544 CA ASP A 38 -5.450 4.418 6.584 1.00 0.00 C ATOM 545 C ASP A 38 -4.752 3.583 5.516 1.00 0.00 C ATOM 546 O ASP A 38 -4.737 3.947 4.340 1.00 0.00 O ATOM 547 CB ASP A 38 -6.953 4.132 6.572 1.00 0.00 C ATOM 548 CG ASP A 38 -7.606 4.407 7.912 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.694 5.592 8.296 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.027 3.438 8.578 1.00 0.00 O ATOM 0 H ASP A 38 -5.702 6.243 5.583 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.044 4.143 7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.430 4.744 5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.119 3.090 6.297 1.00 0.00 H new ATOM 555 N TYR A 39 -4.173 2.462 5.932 1.00 0.00 N ATOM 556 CA TYR A 39 -3.470 1.577 5.011 1.00 0.00 C ATOM 557 C TYR A 39 -3.937 0.134 5.179 1.00 0.00 C ATOM 558 O TYR A 39 -4.509 -0.229 6.206 1.00 0.00 O ATOM 559 CB TYR A 39 -1.960 1.665 5.239 1.00 0.00 C ATOM 560 CG TYR A 39 -1.542 1.349 6.657 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.482 2.347 7.623 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.205 0.054 7.031 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.100 2.063 8.920 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.823 -0.238 8.326 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.772 0.769 9.267 1.00 0.00 C ATOM 566 OH TYR A 39 -0.391 0.482 10.557 1.00 0.00 O ATOM 0 H TYR A 39 -4.177 2.145 6.901 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.697 1.898 3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.458 0.977 4.559 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.621 2.669 4.984 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.738 3.361 7.355 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.242 -0.737 6.297 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.058 2.850 9.658 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.565 -1.250 8.600 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.195 -0.475 10.635 1.00 0.00 H new ATOM 576 N GLU A 40 -3.687 -0.684 4.161 1.00 0.00 N ATOM 577 CA GLU A 40 -4.082 -2.087 4.195 1.00 0.00 C ATOM 578 C GLU A 40 -3.181 -2.928 3.296 1.00 0.00 C ATOM 579 O GLU A 40 -2.698 -2.455 2.268 1.00 0.00 O ATOM 580 CB GLU A 40 -5.541 -2.240 3.759 1.00 0.00 C ATOM 581 CG GLU A 40 -6.541 -1.896 4.850 1.00 0.00 C ATOM 582 CD GLU A 40 -6.256 -2.618 6.152 1.00 0.00 C ATOM 583 OE1 GLU A 40 -6.232 -3.867 6.146 1.00 0.00 O ATOM 584 OE2 GLU A 40 -6.057 -1.934 7.178 1.00 0.00 O ATOM 0 H GLU A 40 -3.213 -0.399 3.304 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.977 -2.442 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.723 -1.599 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.709 -3.267 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.526 -0.820 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.545 -2.150 4.510 1.00 0.00 H new ATOM 591 N GLN A 41 -2.959 -4.177 3.692 1.00 0.00 N ATOM 592 CA GLN A 41 -2.114 -5.083 2.923 1.00 0.00 C ATOM 593 C GLN A 41 -2.920 -5.788 1.837 1.00 0.00 C ATOM 594 O GLN A 41 -3.582 -6.794 2.095 1.00 0.00 O ATOM 595 CB GLN A 41 -1.466 -6.117 3.846 1.00 0.00 C ATOM 596 CG GLN A 41 -0.108 -6.598 3.362 1.00 0.00 C ATOM 597 CD GLN A 41 -0.209 -7.529 2.170 1.00 0.00 C ATOM 598 OE1 GLN A 41 -1.299 -7.778 1.653 1.00 0.00 O ATOM 599 NE2 GLN A 41 0.929 -8.050 1.726 1.00 0.00 N ATOM 0 H GLN A 41 -3.352 -4.585 4.540 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.332 -4.493 2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.356 -5.685 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.133 -6.974 3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.504 -5.737 3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.403 -7.111 4.177 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.810 -7.817 2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.922 -8.684 0.927 1.00 0.00 H new ATOM 608 N ARG A 42 -2.859 -5.254 0.621 1.00 0.00 N ATOM 609 CA ARG A 42 -3.585 -5.831 -0.504 1.00 0.00 C ATOM 610 C ARG A 42 -2.768 -6.935 -1.169 1.00 0.00 C ATOM 611 O ARG A 42 -3.197 -8.087 -1.230 1.00 0.00 O ATOM 612 CB ARG A 42 -3.926 -4.747 -1.528 1.00 0.00 C ATOM 613 CG ARG A 42 -5.255 -4.057 -1.264 1.00 0.00 C ATOM 614 CD ARG A 42 -6.401 -4.767 -1.967 1.00 0.00 C ATOM 615 NE ARG A 42 -7.669 -4.064 -1.794 1.00 0.00 N ATOM 616 CZ ARG A 42 -8.856 -4.641 -1.943 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.937 -5.924 -2.267 1.00 0.00 N ATOM 618 NH2 ARG A 42 -9.965 -3.934 -1.769 1.00 0.00 N ATOM 0 H ARG A 42 -2.314 -4.423 0.390 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.509 -6.265 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.133 -4.000 -1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.949 -5.193 -2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.446 -4.031 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.203 -3.023 -1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.176 -4.853 -3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.493 -5.781 -1.578 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.642 -3.075 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.086 -6.470 -2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.850 -6.365 -2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.907 -2.946 -1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.876 -4.378 -1.884 1.00 0.00 H new ATOM 632 N GLU A 43 -1.589 -6.574 -1.666 1.00 0.00 N ATOM 633 CA GLU A 43 -0.713 -7.534 -2.327 1.00 0.00 C ATOM 634 C GLU A 43 0.596 -7.696 -1.559 1.00 0.00 C ATOM 635 O GLU A 43 0.809 -7.052 -0.532 1.00 0.00 O ATOM 636 CB GLU A 43 -0.424 -7.090 -3.762 1.00 0.00 C ATOM 637 CG GLU A 43 -1.654 -6.603 -4.509 1.00 0.00 C ATOM 638 CD GLU A 43 -1.447 -6.558 -6.010 1.00 0.00 C ATOM 639 OE1 GLU A 43 -0.285 -6.686 -6.452 1.00 0.00 O ATOM 640 OE2 GLU A 43 -2.444 -6.396 -6.743 1.00 0.00 O ATOM 0 H GLU A 43 -1.219 -5.624 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.223 -8.497 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.319 -6.292 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.017 -7.923 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.495 -7.258 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.920 -5.608 -4.153 1.00 0.00 H new ATOM 647 N ARG A 44 1.468 -8.562 -2.065 1.00 0.00 N ATOM 648 CA ARG A 44 2.755 -8.810 -1.427 1.00 0.00 C ATOM 649 C ARG A 44 3.310 -7.531 -0.806 1.00 0.00 C ATOM 650 O ARG A 44 3.327 -7.378 0.416 1.00 0.00 O ATOM 651 CB ARG A 44 3.752 -9.371 -2.442 1.00 0.00 C ATOM 652 CG ARG A 44 5.108 -9.708 -1.843 1.00 0.00 C ATOM 653 CD ARG A 44 5.061 -11.007 -1.054 1.00 0.00 C ATOM 654 NE ARG A 44 5.116 -12.178 -1.926 1.00 0.00 N ATOM 655 CZ ARG A 44 6.179 -12.505 -2.653 1.00 0.00 C ATOM 656 NH1 ARG A 44 7.270 -11.753 -2.612 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.151 -13.586 -3.422 1.00 0.00 N ATOM 0 H ARG A 44 1.307 -9.103 -2.914 1.00 0.00 H new ATOM 0 HA ARG A 44 2.604 -9.542 -0.634 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.331 -10.269 -2.894 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.889 -8.645 -3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.848 -9.791 -2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.431 -8.896 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.896 -11.037 -0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.147 -11.039 -0.461 1.00 0.00 H new ATOM 0 HE ARG A 44 4.293 -12.778 -1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.294 -10.922 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.085 -12.006 -3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.313 -14.167 -3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.967 -13.836 -3.980 1.00 0.00 H new ATOM 671 N PHE A 45 3.764 -6.616 -1.656 1.00 0.00 N ATOM 672 CA PHE A 45 4.321 -5.351 -1.191 1.00 0.00 C ATOM 673 C PHE A 45 3.468 -4.176 -1.661 1.00 0.00 C ATOM 674 O PHE A 45 3.972 -3.071 -1.866 1.00 0.00 O ATOM 675 CB PHE A 45 5.757 -5.186 -1.693 1.00 0.00 C ATOM 676 CG PHE A 45 6.778 -5.854 -0.817 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.302 -5.196 0.284 1.00 0.00 C ATOM 678 CD2 PHE A 45 7.214 -7.140 -1.094 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.243 -5.807 1.091 1.00 0.00 C ATOM 680 CE2 PHE A 45 8.154 -7.757 -0.290 1.00 0.00 C ATOM 681 CZ PHE A 45 8.668 -7.090 0.804 1.00 0.00 C ATOM 0 H PHE A 45 3.757 -6.727 -2.670 1.00 0.00 H new ATOM 0 HA PHE A 45 4.324 -5.363 -0.101 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.831 -5.595 -2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.989 -4.123 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.971 -4.194 0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.815 -7.666 -1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.646 -5.282 1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.486 -8.759 -0.517 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.401 -7.570 1.435 1.00 0.00 H new ATOM 691 N LEU A 46 2.174 -4.422 -1.830 1.00 0.00 N ATOM 692 CA LEU A 46 1.249 -3.386 -2.276 1.00 0.00 C ATOM 693 C LEU A 46 0.241 -3.048 -1.183 1.00 0.00 C ATOM 694 O LEU A 46 -0.474 -3.922 -0.691 1.00 0.00 O ATOM 695 CB LEU A 46 0.516 -3.838 -3.540 1.00 0.00 C ATOM 696 CG LEU A 46 0.044 -2.726 -4.477 1.00 0.00 C ATOM 697 CD1 LEU A 46 1.132 -2.375 -5.480 1.00 0.00 C ATOM 698 CD2 LEU A 46 -1.233 -3.139 -5.194 1.00 0.00 C ATOM 0 H LEU A 46 1.741 -5.331 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 46 1.828 -2.490 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.175 -4.502 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.351 -4.427 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.169 -1.840 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.778 -1.582 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.021 -2.035 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.378 -3.256 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.554 -2.335 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.047 -4.039 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.014 -3.338 -4.460 1.00 0.00 H new ATOM 710 N LEU A 47 0.187 -1.775 -0.808 1.00 0.00 N ATOM 711 CA LEU A 47 -0.737 -1.320 0.226 1.00 0.00 C ATOM 712 C LEU A 47 -1.762 -0.348 -0.349 1.00 0.00 C ATOM 713 O LEU A 47 -1.569 0.206 -1.432 1.00 0.00 O ATOM 714 CB LEU A 47 0.033 -0.652 1.366 1.00 0.00 C ATOM 715 CG LEU A 47 1.123 -1.497 2.027 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.136 -0.608 2.729 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.509 -2.487 3.007 1.00 0.00 C ATOM 0 H LEU A 47 0.772 -1.039 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.267 -2.190 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.491 0.260 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.681 -0.352 2.133 1.00 0.00 H new ATOM 0 HG LEU A 47 1.641 -2.059 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.904 -1.227 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.599 0.060 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.633 -0.018 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.299 -3.080 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.035 -1.944 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.177 -3.147 2.476 1.00 0.00 H new ATOM 729 N PHE A 48 -2.852 -0.144 0.384 1.00 0.00 N ATOM 730 CA PHE A 48 -3.907 0.763 -0.052 1.00 0.00 C ATOM 731 C PHE A 48 -4.056 1.932 0.918 1.00 0.00 C ATOM 732 O PHE A 48 -4.696 1.808 1.962 1.00 0.00 O ATOM 733 CB PHE A 48 -5.236 0.013 -0.172 1.00 0.00 C ATOM 734 CG PHE A 48 -6.341 0.841 -0.762 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.517 0.908 -2.135 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.204 1.553 0.056 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.533 1.670 -2.681 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.222 2.316 -0.484 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.387 2.374 -1.854 1.00 0.00 C ATOM 0 H PHE A 48 -3.027 -0.594 1.282 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.630 1.158 -1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.089 -0.874 -0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.540 -0.332 0.816 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.853 0.359 -2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.080 1.511 1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.659 1.715 -3.753 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.888 2.866 0.165 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.182 2.969 -2.278 1.00 0.00 H new ATOM 749 N CYS A 49 -3.459 3.065 0.564 1.00 0.00 N ATOM 750 CA CYS A 49 -3.523 4.256 1.404 1.00 0.00 C ATOM 751 C CYS A 49 -4.856 4.976 1.225 1.00 0.00 C ATOM 752 O CYS A 49 -5.528 4.818 0.205 1.00 0.00 O ATOM 753 CB CYS A 49 -2.370 5.203 1.070 1.00 0.00 C ATOM 754 SG CYS A 49 -0.735 4.436 1.163 1.00 0.00 S ATOM 0 H CYS A 49 -2.926 3.184 -0.298 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.436 3.942 2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.518 5.598 0.065 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.401 6.051 1.754 1.00 0.00 H new ATOM 0 HG CYS A 49 0.057 4.996 0.297 1.00 0.00 H new ATOM 760 N VAL A 50 -5.234 5.767 2.224 1.00 0.00 N ATOM 761 CA VAL A 50 -6.487 6.511 2.178 1.00 0.00 C ATOM 762 C VAL A 50 -6.408 7.774 3.029 1.00 0.00 C ATOM 763 O VAL A 50 -5.912 7.747 4.155 1.00 0.00 O ATOM 764 CB VAL A 50 -7.669 5.651 2.665 1.00 0.00 C ATOM 765 CG1 VAL A 50 -8.901 6.514 2.889 1.00 0.00 C ATOM 766 CG2 VAL A 50 -7.962 4.537 1.671 1.00 0.00 C ATOM 0 H VAL A 50 -4.690 5.909 3.075 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.653 6.787 1.137 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.396 5.195 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.725 5.889 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.682 7.272 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.180 7.000 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.800 3.939 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.214 4.970 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.082 3.902 1.566 1.00 0.00 H new ATOM 776 N HIS A 51 -6.900 8.881 2.482 1.00 0.00 N ATOM 777 CA HIS A 51 -6.887 10.155 3.191 1.00 0.00 C ATOM 778 C HIS A 51 -8.166 10.941 2.921 1.00 0.00 C ATOM 779 O HIS A 51 -8.705 10.909 1.815 1.00 0.00 O ATOM 780 CB HIS A 51 -5.670 10.982 2.774 1.00 0.00 C ATOM 781 CG HIS A 51 -5.439 12.185 3.635 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.398 13.470 3.136 1.00 0.00 N ATOM 783 CD2 HIS A 51 -5.239 12.294 4.969 1.00 0.00 C ATOM 784 CE1 HIS A 51 -5.180 14.317 4.126 1.00 0.00 C ATOM 785 NE2 HIS A 51 -5.081 13.629 5.249 1.00 0.00 N ATOM 0 H HIS A 51 -7.313 8.921 1.550 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.828 9.947 4.259 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.783 10.349 2.804 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.797 11.304 1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.209 11.482 5.681 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.097 15.390 4.033 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.914 14.025 6.174 1.00 0.00 H new ATOM 794 N GLY A 52 -8.649 11.646 3.940 1.00 0.00 N ATOM 795 CA GLY A 52 -9.862 12.428 3.793 1.00 0.00 C ATOM 796 C GLY A 52 -9.619 13.914 3.974 1.00 0.00 C ATOM 797 O GLY A 52 -10.003 14.493 4.990 1.00 0.00 O ATOM 0 H GLY A 52 -8.221 11.689 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.288 12.250 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.598 12.092 4.523 1.00 0.00 H new ATOM 801 N ASP A 53 -8.979 14.531 2.987 1.00 0.00 N ATOM 802 CA ASP A 53 -8.684 15.958 3.042 1.00 0.00 C ATOM 803 C ASP A 53 -9.836 16.774 2.462 1.00 0.00 C ATOM 804 O ASP A 53 -9.625 17.834 1.875 1.00 0.00 O ATOM 805 CB ASP A 53 -7.393 16.264 2.282 1.00 0.00 C ATOM 806 CG ASP A 53 -6.711 17.523 2.780 1.00 0.00 C ATOM 807 OD1 ASP A 53 -6.587 17.683 4.013 1.00 0.00 O ATOM 808 OD2 ASP A 53 -6.302 18.349 1.938 1.00 0.00 O ATOM 0 H ASP A 53 -8.655 14.066 2.139 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.555 16.237 4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.709 15.421 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.617 16.371 1.221 1.00 0.00 H new ATOM 813 N GLY A 54 -11.054 16.270 2.630 1.00 0.00 N ATOM 814 CA GLY A 54 -12.221 16.963 2.116 1.00 0.00 C ATOM 815 C GLY A 54 -13.517 16.270 2.487 1.00 0.00 C ATOM 816 O GLY A 54 -13.644 15.719 3.581 1.00 0.00 O ATOM 0 H GLY A 54 -11.254 15.394 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.234 17.982 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.149 17.035 1.031 1.00 0.00 H new ATOM 820 N HIS A 55 -14.484 16.300 1.576 1.00 0.00 N ATOM 821 CA HIS A 55 -15.779 15.671 1.813 1.00 0.00 C ATOM 822 C HIS A 55 -15.808 14.256 1.242 1.00 0.00 C ATOM 823 O HIS A 55 -14.887 13.841 0.540 1.00 0.00 O ATOM 824 CB HIS A 55 -16.898 16.507 1.193 1.00 0.00 C ATOM 825 CG HIS A 55 -16.741 17.979 1.419 1.00 0.00 C ATOM 826 ND1 HIS A 55 -16.509 18.989 0.548 1.00 0.00 N flip ATOM 827 CD2 HIS A 55 -16.818 18.561 2.666 1.00 0.00 C flip ATOM 828 CE1 HIS A 55 -16.451 20.151 1.277 1.00 0.00 C flip ATOM 829 NE2 HIS A 55 -16.641 19.866 2.553 1.00 0.00 N flip ATOM 0 H HIS A 55 -14.396 16.753 0.666 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.935 15.613 2.890 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -16.933 16.314 0.121 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -17.853 16.184 1.606 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -16.398 18.903 -0.462 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -16.995 18.033 3.591 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -16.278 21.138 0.873 1.00 0.00 H new ATOM 838 N ALA A 56 -16.872 13.521 1.549 1.00 0.00 N ATOM 839 CA ALA A 56 -17.021 12.154 1.066 1.00 0.00 C ATOM 840 C ALA A 56 -16.756 12.070 -0.434 1.00 0.00 C ATOM 841 O ALA A 56 -15.915 11.292 -0.882 1.00 0.00 O ATOM 842 CB ALA A 56 -18.413 11.630 1.388 1.00 0.00 C ATOM 0 H ALA A 56 -17.643 13.850 2.130 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.284 11.532 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -18.511 10.608 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -18.567 11.645 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -19.160 12.261 0.906 1.00 0.00 H new ATOM 848 N GLU A 57 -17.481 12.876 -1.204 1.00 0.00 N ATOM 849 CA GLU A 57 -17.324 12.891 -2.654 1.00 0.00 C ATOM 850 C GLU A 57 -15.913 13.323 -3.044 1.00 0.00 C ATOM 851 O GLU A 57 -15.534 13.259 -4.212 1.00 0.00 O ATOM 852 CB GLU A 57 -18.351 13.828 -3.291 1.00 0.00 C ATOM 853 CG GLU A 57 -18.037 15.301 -3.092 1.00 0.00 C ATOM 854 CD GLU A 57 -19.280 16.169 -3.099 1.00 0.00 C ATOM 855 OE1 GLU A 57 -20.343 15.686 -2.656 1.00 0.00 O ATOM 856 OE2 GLU A 57 -19.191 17.331 -3.547 1.00 0.00 O ATOM 0 H GLU A 57 -18.182 13.526 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.490 11.879 -3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.408 13.618 -4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -19.334 13.615 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.512 15.432 -2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.361 15.634 -3.880 1.00 0.00 H new ATOM 863 N ASN A 58 -15.141 13.764 -2.056 1.00 0.00 N ATOM 864 CA ASN A 58 -13.773 14.209 -2.295 1.00 0.00 C ATOM 865 C ASN A 58 -12.773 13.285 -1.607 1.00 0.00 C ATOM 866 O ASN A 58 -11.709 13.722 -1.166 1.00 0.00 O ATOM 867 CB ASN A 58 -13.586 15.644 -1.796 1.00 0.00 C ATOM 868 CG ASN A 58 -14.543 16.616 -2.460 1.00 0.00 C ATOM 869 OD1 ASN A 58 -15.414 17.224 -1.664 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.498 16.817 -3.673 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.440 13.823 -1.082 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.590 14.179 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.734 15.673 -0.716 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.561 15.961 -1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.811 16.327 -4.246 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.147 17.474 -4.106 1.00 0.00 H new ATOM 877 N LEU A 59 -13.121 12.006 -1.519 1.00 0.00 N ATOM 878 CA LEU A 59 -12.253 11.019 -0.886 1.00 0.00 C ATOM 879 C LEU A 59 -11.168 10.549 -1.850 1.00 0.00 C ATOM 880 O LEU A 59 -11.462 10.037 -2.930 1.00 0.00 O ATOM 881 CB LEU A 59 -13.076 9.823 -0.404 1.00 0.00 C ATOM 882 CG LEU A 59 -12.401 8.916 0.626 1.00 0.00 C ATOM 883 CD1 LEU A 59 -10.924 8.748 0.303 1.00 0.00 C ATOM 884 CD2 LEU A 59 -12.582 9.475 2.029 1.00 0.00 C ATOM 0 H LEU A 59 -13.998 11.628 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.772 11.491 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -14.006 10.196 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.344 9.219 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.875 7.935 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.460 8.100 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.816 8.302 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.436 9.722 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.095 8.817 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -12.135 10.468 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.645 9.542 2.260 1.00 0.00 H new ATOM 896 N VAL A 60 -9.913 10.725 -1.450 1.00 0.00 N ATOM 897 CA VAL A 60 -8.783 10.316 -2.277 1.00 0.00 C ATOM 898 C VAL A 60 -8.215 8.981 -1.809 1.00 0.00 C ATOM 899 O VAL A 60 -7.931 8.796 -0.626 1.00 0.00 O ATOM 900 CB VAL A 60 -7.663 11.373 -2.258 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.368 10.787 -2.802 1.00 0.00 C ATOM 902 CG2 VAL A 60 -8.077 12.602 -3.053 1.00 0.00 C ATOM 0 H VAL A 60 -9.653 11.148 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.157 10.211 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.491 11.678 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.588 11.548 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.065 9.940 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.522 10.453 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.274 13.338 -3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.277 12.317 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.977 13.033 -2.615 1.00 0.00 H new ATOM 912 N GLN A 61 -8.052 8.052 -2.747 1.00 0.00 N ATOM 913 CA GLN A 61 -7.518 6.733 -2.430 1.00 0.00 C ATOM 914 C GLN A 61 -6.464 6.314 -3.449 1.00 0.00 C ATOM 915 O GLN A 61 -6.685 6.401 -4.657 1.00 0.00 O ATOM 916 CB GLN A 61 -8.645 5.700 -2.390 1.00 0.00 C ATOM 917 CG GLN A 61 -9.901 6.197 -1.692 1.00 0.00 C ATOM 918 CD GLN A 61 -11.043 5.202 -1.769 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.426 4.761 -2.852 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.594 4.843 -0.615 1.00 0.00 N ATOM 0 H GLN A 61 -8.282 8.189 -3.731 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.047 6.785 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.897 5.410 -3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.288 4.804 -1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.674 6.403 -0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.214 7.139 -2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.245 5.234 0.260 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.366 4.177 -0.604 1.00 0.00 H new ATOM 929 N TRP A 62 -5.318 5.860 -2.955 1.00 0.00 N ATOM 930 CA TRP A 62 -4.229 5.427 -3.824 1.00 0.00 C ATOM 931 C TRP A 62 -3.435 4.297 -3.178 1.00 0.00 C ATOM 932 O TRP A 62 -3.457 4.129 -1.960 1.00 0.00 O ATOM 933 CB TRP A 62 -3.303 6.603 -4.139 1.00 0.00 C ATOM 934 CG TRP A 62 -2.484 7.045 -2.965 1.00 0.00 C ATOM 935 CD1 TRP A 62 -1.158 6.797 -2.751 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.937 7.811 -1.843 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.759 7.363 -1.564 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.832 7.991 -0.988 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.167 8.363 -1.479 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.924 8.699 0.207 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.257 9.065 -0.292 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.141 9.229 0.539 1.00 0.00 C ATOM 0 H TRP A 62 -5.118 5.782 -1.958 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.663 5.056 -4.753 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.635 6.322 -4.954 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.901 7.443 -4.492 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.517 6.238 -3.417 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.183 7.322 -1.175 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -5.033 8.243 -2.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.065 8.826 0.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.204 9.495 0.000 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.243 9.785 1.459 1.00 0.00 H new ATOM 953 N GLU A 63 -2.734 3.526 -4.004 1.00 0.00 N ATOM 954 CA GLU A 63 -1.932 2.411 -3.511 1.00 0.00 C ATOM 955 C GLU A 63 -0.442 2.720 -3.626 1.00 0.00 C ATOM 956 O GLU A 63 -0.042 3.643 -4.335 1.00 0.00 O ATOM 957 CB GLU A 63 -2.261 1.135 -4.289 1.00 0.00 C ATOM 958 CG GLU A 63 -3.575 0.492 -3.876 1.00 0.00 C ATOM 959 CD GLU A 63 -3.853 -0.798 -4.622 1.00 0.00 C ATOM 960 OE1 GLU A 63 -4.423 -0.732 -5.731 1.00 0.00 O ATOM 961 OE2 GLU A 63 -3.499 -1.875 -4.097 1.00 0.00 O ATOM 0 H GLU A 63 -2.705 3.652 -5.016 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.174 2.260 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.299 1.368 -5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.454 0.416 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.556 0.291 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.390 1.193 -4.054 1.00 0.00 H new ATOM 968 N MET A 64 0.373 1.941 -2.923 1.00 0.00 N ATOM 969 CA MET A 64 1.819 2.130 -2.946 1.00 0.00 C ATOM 970 C MET A 64 2.544 0.796 -2.808 1.00 0.00 C ATOM 971 O MET A 64 2.046 -0.128 -2.165 1.00 0.00 O ATOM 972 CB MET A 64 2.249 3.076 -1.822 1.00 0.00 C ATOM 973 CG MET A 64 1.760 4.503 -2.009 1.00 0.00 C ATOM 974 SD MET A 64 1.908 5.490 -0.507 1.00 0.00 S ATOM 975 CE MET A 64 3.684 5.495 -0.279 1.00 0.00 C ATOM 0 H MET A 64 0.057 1.173 -2.331 1.00 0.00 H new ATOM 0 HA MET A 64 2.087 2.571 -3.906 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.874 2.693 -0.873 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.337 3.079 -1.757 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.330 4.977 -2.808 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.718 4.487 -2.327 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.935 6.068 0.614 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.039 4.471 -0.164 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.161 5.949 -1.148 1.00 0.00 H new ATOM 985 N GLU A 65 3.723 0.702 -3.416 1.00 0.00 N ATOM 986 CA GLU A 65 4.515 -0.521 -3.361 1.00 0.00 C ATOM 987 C GLU A 65 6.000 -0.216 -3.534 1.00 0.00 C ATOM 988 O GLU A 65 6.374 0.724 -4.236 1.00 0.00 O ATOM 989 CB GLU A 65 4.055 -1.502 -4.442 1.00 0.00 C ATOM 990 CG GLU A 65 5.066 -2.595 -4.742 1.00 0.00 C ATOM 991 CD GLU A 65 4.601 -3.536 -5.836 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.803 -4.449 -5.535 1.00 0.00 O ATOM 993 OE2 GLU A 65 5.035 -3.360 -6.994 1.00 0.00 O ATOM 0 H GLU A 65 4.150 1.458 -3.952 1.00 0.00 H new ATOM 0 HA GLU A 65 4.367 -0.975 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.118 -1.962 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.848 -0.949 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.011 -2.139 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.258 -3.166 -3.834 1.00 0.00 H new ATOM 1000 N VAL A 66 6.842 -1.017 -2.889 1.00 0.00 N ATOM 1001 CA VAL A 66 8.286 -0.834 -2.972 1.00 0.00 C ATOM 1002 C VAL A 66 8.915 -1.848 -3.920 1.00 0.00 C ATOM 1003 O VAL A 66 9.087 -3.017 -3.571 1.00 0.00 O ATOM 1004 CB VAL A 66 8.948 -0.963 -1.587 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.438 -0.671 -1.678 1.00 0.00 C ATOM 1006 CG2 VAL A 66 8.274 -0.035 -0.587 1.00 0.00 C ATOM 0 H VAL A 66 6.549 -1.799 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 66 8.456 0.172 -3.356 1.00 0.00 H new ATOM 0 HB VAL A 66 8.824 -1.988 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.889 -0.767 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.907 -1.380 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.588 0.343 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.754 -0.139 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.365 0.996 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.219 -0.297 -0.501 1.00 0.00 H new ATOM 1016 N CYS A 67 9.259 -1.393 -5.120 1.00 0.00 N ATOM 1017 CA CYS A 67 9.870 -2.261 -6.120 1.00 0.00 C ATOM 1018 C CYS A 67 11.192 -1.680 -6.609 1.00 0.00 C ATOM 1019 O CYS A 67 11.371 -0.463 -6.650 1.00 0.00 O ATOM 1020 CB CYS A 67 8.919 -2.461 -7.302 1.00 0.00 C ATOM 1021 SG CYS A 67 9.216 -3.978 -8.239 1.00 0.00 S ATOM 0 H CYS A 67 9.125 -0.429 -5.424 1.00 0.00 H new ATOM 0 HA CYS A 67 10.068 -3.227 -5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.894 -2.470 -6.932 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.008 -1.608 -7.975 1.00 0.00 H new ATOM 0 HG CYS A 67 8.362 -4.059 -9.215 1.00 0.00 H new ATOM 1027 N LYS A 68 12.118 -2.559 -6.979 1.00 0.00 N ATOM 1028 CA LYS A 68 13.426 -2.135 -7.465 1.00 0.00 C ATOM 1029 C LYS A 68 13.333 -1.621 -8.898 1.00 0.00 C ATOM 1030 O LYS A 68 13.017 -2.374 -9.820 1.00 0.00 O ATOM 1031 CB LYS A 68 14.421 -3.296 -7.392 1.00 0.00 C ATOM 1032 CG LYS A 68 14.864 -3.629 -5.978 1.00 0.00 C ATOM 1033 CD LYS A 68 13.955 -4.665 -5.338 1.00 0.00 C ATOM 1034 CE LYS A 68 14.447 -5.059 -3.954 1.00 0.00 C ATOM 1035 NZ LYS A 68 13.716 -6.242 -3.421 1.00 0.00 N ATOM 0 H LYS A 68 11.986 -3.570 -6.951 1.00 0.00 H new ATOM 0 HA LYS A 68 13.777 -1.323 -6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.968 -4.181 -7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.298 -3.050 -7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.888 -4.003 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.866 -2.722 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.943 -4.267 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.906 -5.549 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.513 -5.280 -3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.323 -4.218 -3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.081 -6.479 -2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.701 -6.023 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.855 -7.052 -4.058 1.00 0.00 H new ATOM 1049 N LEU A 69 13.611 -0.334 -9.078 1.00 0.00 N ATOM 1050 CA LEU A 69 13.560 0.281 -10.400 1.00 0.00 C ATOM 1051 C LEU A 69 14.555 -0.382 -11.348 1.00 0.00 C ATOM 1052 O LEU A 69 15.691 -0.685 -10.982 1.00 0.00 O ATOM 1053 CB LEU A 69 13.855 1.779 -10.299 1.00 0.00 C ATOM 1054 CG LEU A 69 12.998 2.566 -9.308 1.00 0.00 C ATOM 1055 CD1 LEU A 69 13.647 2.578 -7.932 1.00 0.00 C ATOM 1056 CD2 LEU A 69 12.775 3.987 -9.806 1.00 0.00 C ATOM 0 H LEU A 69 13.874 0.303 -8.326 1.00 0.00 H new ATOM 0 HA LEU A 69 12.556 0.141 -10.800 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.902 1.905 -10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.730 2.221 -11.288 1.00 0.00 H new ATOM 0 HG LEU A 69 12.029 2.074 -9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.022 3.143 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.754 1.555 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.630 3.045 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.163 4.532 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.736 4.488 -9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.266 3.959 -10.769 1.00 0.00 H new ATOM 1068 N PRO A 70 14.120 -0.611 -12.596 1.00 0.00 N ATOM 1069 CA PRO A 70 14.958 -1.238 -13.623 1.00 0.00 C ATOM 1070 C PRO A 70 16.093 -0.328 -14.080 1.00 0.00 C ATOM 1071 O PRO A 70 17.191 -0.794 -14.384 1.00 0.00 O ATOM 1072 CB PRO A 70 13.979 -1.492 -14.772 1.00 0.00 C ATOM 1073 CG PRO A 70 12.904 -0.477 -14.586 1.00 0.00 C ATOM 1074 CD PRO A 70 12.778 -0.276 -13.101 1.00 0.00 C ATOM 0 HA PRO A 70 15.448 -2.140 -13.256 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.467 -1.379 -15.740 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.578 -2.505 -14.734 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.159 0.457 -15.086 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.963 -0.822 -15.015 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.501 0.749 -12.856 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.014 -0.924 -12.671 1.00 0.00 H new ATOM 1082 N ARG A 71 15.820 0.972 -14.126 1.00 0.00 N ATOM 1083 CA ARG A 71 16.819 1.947 -14.548 1.00 0.00 C ATOM 1084 C ARG A 71 17.922 2.082 -13.502 1.00 0.00 C ATOM 1085 O ARG A 71 19.057 1.659 -13.723 1.00 0.00 O ATOM 1086 CB ARG A 71 16.163 3.307 -14.792 1.00 0.00 C ATOM 1087 CG ARG A 71 16.863 4.139 -15.854 1.00 0.00 C ATOM 1088 CD ARG A 71 18.118 4.800 -15.307 1.00 0.00 C ATOM 1089 NE ARG A 71 18.547 5.927 -16.131 1.00 0.00 N ATOM 1090 CZ ARG A 71 17.964 7.120 -16.104 1.00 0.00 C ATOM 1091 NH1 ARG A 71 16.934 7.341 -15.299 1.00 0.00 N ATOM 1092 NH2 ARG A 71 18.412 8.096 -16.884 1.00 0.00 N ATOM 0 H ARG A 71 14.916 1.374 -13.877 1.00 0.00 H new ATOM 0 HA ARG A 71 17.265 1.594 -15.478 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.126 3.152 -15.089 1.00 0.00 H new ATOM 0 HB3 ARG A 71 16.147 3.866 -13.857 1.00 0.00 H new ATOM 0 HG2 ARG A 71 17.124 3.504 -16.701 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.181 4.903 -16.227 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.932 5.145 -14.290 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.921 4.065 -15.253 1.00 0.00 H new ATOM 0 HE ARG A 71 19.337 5.790 -16.761 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.587 6.594 -14.698 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.489 8.258 -15.281 1.00 0.00 H new ATOM 0 HH21 ARG A 71 19.204 7.930 -17.505 1.00 0.00 H new ATOM 0 HH22 ARG A 71 17.964 9.012 -16.863 1.00 0.00 H new ATOM 1106 N LEU A 72 17.580 2.675 -12.363 1.00 0.00 N ATOM 1107 CA LEU A 72 18.541 2.866 -11.282 1.00 0.00 C ATOM 1108 C LEU A 72 18.676 1.600 -10.442 1.00 0.00 C ATOM 1109 O LEU A 72 17.785 0.751 -10.435 1.00 0.00 O ATOM 1110 CB LEU A 72 18.114 4.037 -10.395 1.00 0.00 C ATOM 1111 CG LEU A 72 17.538 5.254 -11.121 1.00 0.00 C ATOM 1112 CD1 LEU A 72 16.607 6.031 -10.204 1.00 0.00 C ATOM 1113 CD2 LEU A 72 18.657 6.150 -11.632 1.00 0.00 C ATOM 0 H LEU A 72 16.645 3.032 -12.164 1.00 0.00 H new ATOM 0 HA LEU A 72 19.511 3.089 -11.727 1.00 0.00 H new ATOM 0 HB2 LEU A 72 17.370 3.676 -9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.978 4.361 -9.814 1.00 0.00 H new ATOM 0 HG LEU A 72 16.962 4.903 -11.977 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.207 6.893 -10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.786 5.387 -9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 72 17.159 6.371 -9.328 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.228 7.010 -12.146 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.261 6.493 -10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.284 5.589 -12.325 1.00 0.00 H new ATOM 1125 N SER A 73 19.794 1.482 -9.733 1.00 0.00 N ATOM 1126 CA SER A 73 20.046 0.320 -8.891 1.00 0.00 C ATOM 1127 C SER A 73 19.600 0.582 -7.455 1.00 0.00 C ATOM 1128 O SER A 73 20.365 0.386 -6.509 1.00 0.00 O ATOM 1129 CB SER A 73 21.532 -0.043 -8.917 1.00 0.00 C ATOM 1130 OG SER A 73 22.311 0.949 -8.271 1.00 0.00 O ATOM 0 H SER A 73 20.540 2.178 -9.725 1.00 0.00 H new ATOM 0 HA SER A 73 19.468 -0.516 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 73 21.683 -1.005 -8.427 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.864 -0.156 -9.949 1.00 0.00 H new ATOM 0 HG SER A 73 22.107 0.952 -7.312 1.00 0.00 H new ATOM 1136 N LEU A 74 18.358 1.027 -7.301 1.00 0.00 N ATOM 1137 CA LEU A 74 17.808 1.317 -5.981 1.00 0.00 C ATOM 1138 C LEU A 74 16.317 0.997 -5.930 1.00 0.00 C ATOM 1139 O LEU A 74 15.695 0.729 -6.956 1.00 0.00 O ATOM 1140 CB LEU A 74 18.039 2.786 -5.622 1.00 0.00 C ATOM 1141 CG LEU A 74 19.372 3.385 -6.072 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.337 3.711 -7.557 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.699 4.629 -5.258 1.00 0.00 C ATOM 0 H LEU A 74 17.713 1.195 -8.073 1.00 0.00 H new ATOM 0 HA LEU A 74 18.321 0.687 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.233 3.377 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.963 2.891 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 74 20.156 2.647 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.294 4.136 -7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.149 2.800 -8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.542 4.431 -7.753 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.651 5.042 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.913 5.371 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.768 4.366 -4.203 1.00 0.00 H new ATOM 1155 N ASN A 75 15.751 1.029 -4.728 1.00 0.00 N ATOM 1156 CA ASN A 75 14.333 0.745 -4.543 1.00 0.00 C ATOM 1157 C ASN A 75 13.530 2.036 -4.424 1.00 0.00 C ATOM 1158 O ASN A 75 13.932 2.967 -3.727 1.00 0.00 O ATOM 1159 CB ASN A 75 14.122 -0.117 -3.296 1.00 0.00 C ATOM 1160 CG ASN A 75 15.119 -1.256 -3.206 1.00 0.00 C ATOM 1161 OD1 ASN A 75 16.143 -1.256 -3.890 1.00 0.00 O ATOM 1162 ND2 ASN A 75 14.823 -2.235 -2.359 1.00 0.00 N ATOM 0 H ASN A 75 16.253 1.249 -3.868 1.00 0.00 H new ATOM 0 HA ASN A 75 13.981 0.199 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.207 0.508 -2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.110 -0.523 -3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.456 -3.028 -2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.963 -2.194 -1.812 1.00 0.00 H new ATOM 1169 N GLY A 76 12.391 2.085 -5.109 1.00 0.00 N ATOM 1170 CA GLY A 76 11.549 3.266 -5.066 1.00 0.00 C ATOM 1171 C GLY A 76 10.124 2.947 -4.660 1.00 0.00 C ATOM 1172 O GLY A 76 9.849 1.875 -4.123 1.00 0.00 O ATOM 0 H GLY A 76 12.037 1.327 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.972 3.984 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.546 3.743 -6.046 1.00 0.00 H new ATOM 1176 N VAL A 77 9.214 3.882 -4.916 1.00 0.00 N ATOM 1177 CA VAL A 77 7.810 3.697 -4.573 1.00 0.00 C ATOM 1178 C VAL A 77 6.903 4.102 -5.729 1.00 0.00 C ATOM 1179 O VAL A 77 6.920 5.251 -6.171 1.00 0.00 O ATOM 1180 CB VAL A 77 7.425 4.510 -3.323 1.00 0.00 C ATOM 1181 CG1 VAL A 77 5.978 4.244 -2.937 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.362 4.188 -2.169 1.00 0.00 C ATOM 0 H VAL A 77 9.425 4.776 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 77 7.673 2.636 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 77 7.524 5.570 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.724 4.827 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.323 4.531 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.848 3.183 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.075 4.771 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.298 3.126 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.385 4.436 -2.451 1.00 0.00 H new ATOM 1192 N ARG A 78 6.111 3.152 -6.215 1.00 0.00 N ATOM 1193 CA ARG A 78 5.198 3.410 -7.321 1.00 0.00 C ATOM 1194 C ARG A 78 3.855 3.924 -6.809 1.00 0.00 C ATOM 1195 O ARG A 78 3.100 3.191 -6.171 1.00 0.00 O ATOM 1196 CB ARG A 78 4.988 2.138 -8.145 1.00 0.00 C ATOM 1197 CG ARG A 78 4.678 0.911 -7.303 1.00 0.00 C ATOM 1198 CD ARG A 78 3.817 -0.084 -8.064 1.00 0.00 C ATOM 1199 NE ARG A 78 4.619 -0.986 -8.886 1.00 0.00 N ATOM 1200 CZ ARG A 78 4.136 -2.082 -9.461 1.00 0.00 C ATOM 1201 NH1 ARG A 78 2.861 -2.409 -9.305 1.00 0.00 N ATOM 1202 NH2 ARG A 78 4.929 -2.853 -10.194 1.00 0.00 N ATOM 0 H ARG A 78 6.083 2.196 -5.860 1.00 0.00 H new ATOM 0 HA ARG A 78 5.644 4.176 -7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.171 2.301 -8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.884 1.946 -8.736 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.609 0.431 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.165 1.215 -6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.226 -0.667 -7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.114 0.456 -8.698 1.00 0.00 H new ATOM 0 HE ARG A 78 5.604 -0.762 -9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.248 -1.819 -8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.493 -3.251 -9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.911 -2.605 -10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.557 -3.694 -10.635 1.00 0.00 H new ATOM 1216 N PHE A 79 3.565 5.190 -7.092 1.00 0.00 N ATOM 1217 CA PHE A 79 2.315 5.803 -6.659 1.00 0.00 C ATOM 1218 C PHE A 79 1.230 5.633 -7.718 1.00 0.00 C ATOM 1219 O PHE A 79 1.182 6.374 -8.700 1.00 0.00 O ATOM 1220 CB PHE A 79 2.527 7.290 -6.364 1.00 0.00 C ATOM 1221 CG PHE A 79 3.353 7.545 -5.136 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.726 7.356 -5.157 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.758 7.976 -3.962 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.488 7.590 -4.029 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.516 8.212 -2.830 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.883 8.020 -2.864 1.00 0.00 C ATOM 0 H PHE A 79 4.179 5.811 -7.619 1.00 0.00 H new ATOM 0 HA PHE A 79 1.990 5.301 -5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.011 7.757 -7.222 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.556 7.771 -6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.205 7.022 -6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.689 8.130 -3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.557 7.437 -4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.039 8.546 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.478 8.206 -1.982 1.00 0.00 H new ATOM 1236 N LYS A 80 0.360 4.649 -7.513 1.00 0.00 N ATOM 1237 CA LYS A 80 -0.725 4.380 -8.448 1.00 0.00 C ATOM 1238 C LYS A 80 -2.017 5.048 -7.989 1.00 0.00 C ATOM 1239 O LYS A 80 -2.484 4.818 -6.873 1.00 0.00 O ATOM 1240 CB LYS A 80 -0.941 2.871 -8.589 1.00 0.00 C ATOM 1241 CG LYS A 80 -1.819 2.491 -9.769 1.00 0.00 C ATOM 1242 CD LYS A 80 -3.286 2.434 -9.377 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.657 1.076 -8.802 1.00 0.00 C ATOM 1244 NZ LYS A 80 -5.097 0.760 -9.010 1.00 0.00 N ATOM 0 H LYS A 80 0.386 4.025 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.447 4.794 -9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.027 2.382 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.392 2.490 -7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.684 3.215 -10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.508 1.522 -10.158 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.498 3.211 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.905 2.642 -10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.045 0.304 -9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.432 1.059 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.528 0.490 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.585 1.597 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.186 -0.027 -9.683 1.00 0.00 H new ATOM 1258 N ARG A 81 -2.591 5.875 -8.856 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.830 6.576 -8.539 1.00 0.00 C ATOM 1260 C ARG A 81 -5.035 5.658 -8.719 1.00 0.00 C ATOM 1261 O ARG A 81 -5.225 5.067 -9.783 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.981 7.814 -9.425 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.038 8.789 -8.933 1.00 0.00 C ATOM 1264 CD ARG A 81 -6.404 8.476 -9.523 1.00 0.00 C ATOM 1265 NE ARG A 81 -6.345 8.292 -10.971 1.00 0.00 N ATOM 1266 CZ ARG A 81 -7.258 7.621 -11.664 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -8.294 7.072 -11.044 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -7.136 7.497 -12.979 1.00 0.00 N ATOM 0 H ARG A 81 -2.218 6.076 -9.784 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.785 6.888 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.022 8.329 -9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.233 7.498 -10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.093 8.749 -7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.749 9.805 -9.201 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.801 7.573 -9.059 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.095 9.286 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.560 8.701 -11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.391 7.165 -10.033 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.994 6.557 -11.578 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.340 7.917 -13.459 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.838 6.981 -13.510 1.00 0.00 H new ATOM 1282 N ILE A 82 -5.846 5.543 -7.673 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.033 4.698 -7.716 1.00 0.00 C ATOM 1284 C ILE A 82 -8.301 5.536 -7.834 1.00 0.00 C ATOM 1285 O ILE A 82 -9.007 5.475 -8.841 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.135 3.806 -6.464 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.130 2.656 -6.548 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.551 3.270 -6.310 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -4.776 2.993 -5.965 1.00 0.00 C ATOM 0 H ILE A 82 -5.703 6.024 -6.785 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.937 4.064 -8.597 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.898 4.407 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.536 1.790 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.006 2.368 -7.592 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.607 2.642 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.247 4.103 -6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.815 2.681 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.115 2.132 -6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.348 3.839 -6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.887 3.252 -4.912 1.00 0.00 H new ATOM 1301 N SER A 83 -8.584 6.321 -6.799 1.00 0.00 N ATOM 1302 CA SER A 83 -9.768 7.171 -6.785 1.00 0.00 C ATOM 1303 C SER A 83 -9.379 8.644 -6.704 1.00 0.00 C ATOM 1304 O SER A 83 -8.197 8.985 -6.687 1.00 0.00 O ATOM 1305 CB SER A 83 -10.671 6.805 -5.606 1.00 0.00 C ATOM 1306 OG SER A 83 -11.131 5.469 -5.711 1.00 0.00 O ATOM 0 H SER A 83 -8.009 6.386 -5.959 1.00 0.00 H new ATOM 0 HA SER A 83 -10.313 7.008 -7.715 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.124 6.932 -4.672 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.523 7.484 -5.572 1.00 0.00 H new ATOM 0 HG SER A 83 -11.272 5.100 -4.814 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.383 9.514 -6.653 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.126 10.940 -6.574 1.00 0.00 C ATOM 1314 C GLY A 84 -9.496 11.486 -7.840 1.00 0.00 C ATOM 1315 O GLY A 84 -8.609 10.860 -8.422 1.00 0.00 O ATOM 0 H GLY A 84 -11.370 9.257 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.062 11.465 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.468 11.141 -5.728 1.00 0.00 H new ATOM 1319 N THR A 85 -9.954 12.658 -8.269 1.00 0.00 N ATOM 1320 CA THR A 85 -9.431 13.288 -9.476 1.00 0.00 C ATOM 1321 C THR A 85 -7.920 13.467 -9.391 1.00 0.00 C ATOM 1322 O THR A 85 -7.328 13.334 -8.320 1.00 0.00 O ATOM 1323 CB THR A 85 -10.087 14.659 -9.723 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.966 15.018 -11.104 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.442 15.731 -8.857 1.00 0.00 C ATOM 0 H THR A 85 -10.686 13.190 -7.799 1.00 0.00 H new ATOM 0 HA THR A 85 -9.669 12.625 -10.308 1.00 0.00 H new ATOM 0 HB THR A 85 -11.142 14.586 -9.458 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.387 15.890 -11.253 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.922 16.691 -9.049 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.561 15.469 -7.806 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.381 15.802 -9.096 1.00 0.00 H new ATOM 1333 N SER A 86 -7.300 13.771 -10.527 1.00 0.00 N ATOM 1334 CA SER A 86 -5.856 13.967 -10.581 1.00 0.00 C ATOM 1335 C SER A 86 -5.415 15.041 -9.591 1.00 0.00 C ATOM 1336 O SER A 86 -4.528 14.814 -8.768 1.00 0.00 O ATOM 1337 CB SER A 86 -5.425 14.355 -11.997 1.00 0.00 C ATOM 1338 OG SER A 86 -6.396 15.180 -12.617 1.00 0.00 O ATOM 0 H SER A 86 -7.775 13.887 -11.422 1.00 0.00 H new ATOM 0 HA SER A 86 -5.377 13.027 -10.307 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.469 14.878 -11.959 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.273 13.456 -12.594 1.00 0.00 H new ATOM 0 HG SER A 86 -6.097 15.416 -13.520 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.042 16.209 -9.678 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.716 17.318 -8.789 1.00 0.00 C ATOM 1346 C ILE A 87 -5.692 16.867 -7.333 1.00 0.00 C ATOM 1347 O ILE A 87 -4.657 16.928 -6.670 1.00 0.00 O ATOM 1348 CB ILE A 87 -6.721 18.474 -8.940 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -6.623 19.086 -10.339 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.475 19.533 -7.875 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -7.746 20.047 -10.659 1.00 0.00 C ATOM 0 H ILE A 87 -6.778 16.412 -10.354 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.724 17.670 -9.074 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.728 18.079 -8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.671 19.609 -10.432 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.620 18.285 -11.078 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.194 20.344 -7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.591 19.089 -6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.464 19.926 -7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.611 20.442 -11.666 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.701 19.524 -10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.737 20.869 -9.943 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.840 16.412 -6.841 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.950 15.946 -5.464 1.00 0.00 C ATOM 1365 C ALA A 88 -5.888 14.897 -5.153 1.00 0.00 C ATOM 1366 O ALA A 88 -5.212 14.969 -4.126 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.340 15.385 -5.207 1.00 0.00 C ATOM 0 H ALA A 88 -7.707 16.356 -7.376 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.786 16.798 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.408 15.041 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.084 16.163 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.525 14.549 -5.881 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.746 13.922 -6.045 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.767 12.857 -5.864 1.00 0.00 C ATOM 1375 C PHE A 89 -3.381 13.433 -5.586 1.00 0.00 C ATOM 1376 O PHE A 89 -2.867 13.334 -4.472 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.720 11.962 -7.104 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.528 11.049 -7.140 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.296 10.151 -6.111 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.639 11.089 -8.203 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.200 9.309 -6.141 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.542 10.249 -8.238 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.322 9.359 -7.206 1.00 0.00 C ATOM 0 H PHE A 89 -6.297 13.848 -6.900 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.072 12.260 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.629 11.361 -7.143 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.714 12.590 -7.995 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.979 10.108 -5.276 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.805 11.784 -9.013 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.031 8.613 -5.333 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.857 10.289 -9.072 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.465 8.703 -7.231 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.782 14.035 -6.607 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.456 14.629 -6.475 1.00 0.00 C ATOM 1395 C LYS A 90 -1.356 15.457 -5.198 1.00 0.00 C ATOM 1396 O LYS A 90 -0.288 15.558 -4.596 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.144 15.505 -7.690 1.00 0.00 C ATOM 1398 CG LYS A 90 0.272 16.055 -7.696 1.00 0.00 C ATOM 1399 CD LYS A 90 0.348 17.391 -8.415 1.00 0.00 C ATOM 1400 CE LYS A 90 0.307 17.215 -9.925 1.00 0.00 C ATOM 1401 NZ LYS A 90 1.669 17.028 -10.498 1.00 0.00 N ATOM 0 H LYS A 90 -3.193 14.125 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.726 13.821 -6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.302 14.923 -8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.848 16.337 -7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.622 16.172 -6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.938 15.341 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.482 18.023 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.266 17.906 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.313 16.354 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.162 18.088 -10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.599 16.912 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.254 17.861 -10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.107 16.181 -10.083 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.475 16.047 -4.791 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.513 16.865 -3.585 1.00 0.00 C ATOM 1417 C ASN A 91 -2.037 16.070 -2.373 1.00 0.00 C ATOM 1418 O ASN A 91 -1.052 16.432 -1.728 1.00 0.00 O ATOM 1419 CB ASN A 91 -3.930 17.388 -3.342 1.00 0.00 C ATOM 1420 CG ASN A 91 -3.939 18.721 -2.618 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.345 18.863 -1.549 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -4.615 19.705 -3.199 1.00 0.00 N ATOM 0 H ASN A 91 -3.368 15.974 -5.279 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.841 17.711 -3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.444 17.493 -4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.489 16.657 -2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.657 20.624 -2.759 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.092 19.542 -4.085 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.742 14.986 -2.070 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.391 14.139 -0.937 1.00 0.00 C ATOM 1431 C ILE A 92 -1.077 13.406 -1.185 1.00 0.00 C ATOM 1432 O ILE A 92 -0.333 13.110 -0.250 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.494 13.105 -0.643 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -3.161 12.318 0.626 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.668 12.165 -1.826 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.884 13.195 1.826 1.00 0.00 C ATOM 0 H ILE A 92 -3.560 14.673 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.281 14.796 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.434 13.634 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.991 11.650 0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.290 11.690 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.451 11.440 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.947 12.740 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.731 11.641 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.655 12.569 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.035 13.845 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.762 13.804 2.042 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.796 13.118 -2.451 1.00 0.00 N ATOM 1449 CA ALA A 93 0.431 12.424 -2.823 1.00 0.00 C ATOM 1450 C ALA A 93 1.658 13.276 -2.519 1.00 0.00 C ATOM 1451 O ALA A 93 2.743 12.751 -2.269 1.00 0.00 O ATOM 1452 CB ALA A 93 0.398 12.049 -4.298 1.00 0.00 C ATOM 0 H ALA A 93 -1.402 13.355 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 93 0.498 11.513 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.320 11.531 -4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.453 11.395 -4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.303 12.952 -4.901 1.00 0.00 H new ATOM 1458 N SER A 94 1.479 14.593 -2.542 1.00 0.00 N ATOM 1459 CA SER A 94 2.574 15.518 -2.272 1.00 0.00 C ATOM 1460 C SER A 94 2.953 15.494 -0.795 1.00 0.00 C ATOM 1461 O SER A 94 4.102 15.750 -0.433 1.00 0.00 O ATOM 1462 CB SER A 94 2.184 16.937 -2.688 1.00 0.00 C ATOM 1463 OG SER A 94 3.329 17.760 -2.830 1.00 0.00 O ATOM 0 H SER A 94 0.587 15.043 -2.745 1.00 0.00 H new ATOM 0 HA SER A 94 3.438 15.201 -2.856 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.636 16.906 -3.630 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.514 17.366 -1.943 1.00 0.00 H new ATOM 0 HG SER A 94 3.053 18.661 -3.098 1.00 0.00 H new ATOM 1469 N LYS A 95 1.980 15.186 0.055 1.00 0.00 N ATOM 1470 CA LYS A 95 2.209 15.127 1.494 1.00 0.00 C ATOM 1471 C LYS A 95 3.109 13.949 1.853 1.00 0.00 C ATOM 1472 O LYS A 95 3.889 14.020 2.803 1.00 0.00 O ATOM 1473 CB LYS A 95 0.877 15.012 2.239 1.00 0.00 C ATOM 1474 CG LYS A 95 0.091 16.311 2.284 1.00 0.00 C ATOM 1475 CD LYS A 95 0.630 17.252 3.349 1.00 0.00 C ATOM 1476 CE LYS A 95 -0.040 18.615 3.278 1.00 0.00 C ATOM 1477 NZ LYS A 95 -1.476 18.549 3.669 1.00 0.00 N ATOM 0 H LYS A 95 1.023 14.973 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 95 2.708 16.048 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.268 14.245 1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.068 14.677 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.136 16.798 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.958 16.096 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.469 16.817 4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.707 17.367 3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.483 19.311 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.043 19.008 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.888 19.504 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.988 17.931 3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.556 18.166 4.633 1.00 0.00 H new ATOM 1491 N ILE A 96 2.995 12.869 1.088 1.00 0.00 N ATOM 1492 CA ILE A 96 3.801 11.677 1.326 1.00 0.00 C ATOM 1493 C ILE A 96 5.184 11.815 0.699 1.00 0.00 C ATOM 1494 O ILE A 96 6.198 11.554 1.346 1.00 0.00 O ATOM 1495 CB ILE A 96 3.119 10.416 0.764 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.628 10.419 1.109 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.790 9.164 1.308 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.351 10.507 2.593 1.00 0.00 C ATOM 0 H ILE A 96 2.353 12.794 0.299 1.00 0.00 H new ATOM 0 HA ILE A 96 3.903 11.575 2.406 1.00 0.00 H new ATOM 0 HB ILE A 96 3.222 10.419 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.149 11.260 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.171 9.511 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.297 8.281 0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.841 9.159 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.714 9.154 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.274 10.504 2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.800 9.652 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.778 11.428 2.989 1.00 0.00 H new ATOM 1510 N ALA A 97 5.218 12.229 -0.563 1.00 0.00 N ATOM 1511 CA ALA A 97 6.477 12.405 -1.276 1.00 0.00 C ATOM 1512 C ALA A 97 7.465 13.223 -0.451 1.00 0.00 C ATOM 1513 O ALA A 97 8.657 12.923 -0.418 1.00 0.00 O ATOM 1514 CB ALA A 97 6.232 13.071 -2.622 1.00 0.00 C ATOM 0 H ALA A 97 4.388 12.449 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 97 6.912 11.420 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.181 13.196 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.568 12.448 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.772 14.047 -2.467 1.00 0.00 H new ATOM 1520 N ASN A 98 6.960 14.257 0.214 1.00 0.00 N ATOM 1521 CA ASN A 98 7.799 15.119 1.038 1.00 0.00 C ATOM 1522 C ASN A 98 8.030 14.499 2.413 1.00 0.00 C ATOM 1523 O ASN A 98 9.151 14.129 2.757 1.00 0.00 O ATOM 1524 CB ASN A 98 7.156 16.499 1.190 1.00 0.00 C ATOM 1525 CG ASN A 98 7.975 17.425 2.067 1.00 0.00 C ATOM 1526 OD1 ASN A 98 7.481 17.950 3.066 1.00 0.00 O ATOM 1527 ND2 ASN A 98 9.233 17.631 1.698 1.00 0.00 N ATOM 0 H ASN A 98 5.974 14.518 0.198 1.00 0.00 H new ATOM 0 HA ASN A 98 8.763 15.228 0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 98 7.033 16.950 0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.159 16.387 1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 98 9.832 18.245 2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.601 17.175 0.863 1.00 0.00 H new ATOM 1534 N GLU A 99 6.960 14.391 3.195 1.00 0.00 N ATOM 1535 CA GLU A 99 7.046 13.816 4.532 1.00 0.00 C ATOM 1536 C GLU A 99 7.975 12.606 4.545 1.00 0.00 C ATOM 1537 O GLU A 99 8.867 12.503 5.388 1.00 0.00 O ATOM 1538 CB GLU A 99 5.656 13.412 5.029 1.00 0.00 C ATOM 1539 CG GLU A 99 4.785 14.592 5.425 1.00 0.00 C ATOM 1540 CD GLU A 99 5.026 15.041 6.853 1.00 0.00 C ATOM 1541 OE1 GLU A 99 5.707 14.307 7.599 1.00 0.00 O ATOM 1542 OE2 GLU A 99 4.533 16.126 7.225 1.00 0.00 O ATOM 0 H GLU A 99 6.024 14.694 2.925 1.00 0.00 H new ATOM 0 HA GLU A 99 7.456 14.574 5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.151 12.844 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.765 12.748 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.978 15.425 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.736 14.321 5.305 1.00 0.00 H new ATOM 1549 N LEU A 100 7.759 11.691 3.606 1.00 0.00 N ATOM 1550 CA LEU A 100 8.576 10.487 3.509 1.00 0.00 C ATOM 1551 C LEU A 100 10.028 10.783 3.868 1.00 0.00 C ATOM 1552 O LEU A 100 10.752 11.418 3.100 1.00 0.00 O ATOM 1553 CB LEU A 100 8.496 9.906 2.096 1.00 0.00 C ATOM 1554 CG LEU A 100 7.367 8.905 1.845 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.474 8.321 0.445 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.393 7.799 2.889 1.00 0.00 C ATOM 0 H LEU A 100 7.025 11.760 2.901 1.00 0.00 H new ATOM 0 HA LEU A 100 8.188 9.756 4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.387 10.730 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.444 9.418 1.871 1.00 0.00 H new ATOM 0 HG LEU A 100 6.416 9.431 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.663 7.611 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.406 9.123 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.431 7.810 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.583 7.096 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.348 7.275 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.267 8.232 3.881 1.00 0.00 H new ATOM 1568 N LYS A 101 10.450 10.317 5.039 1.00 0.00 N ATOM 1569 CA LYS A 101 11.817 10.529 5.499 1.00 0.00 C ATOM 1570 C LYS A 101 12.781 9.581 4.793 1.00 0.00 C ATOM 1571 O LYS A 101 13.549 8.866 5.439 1.00 0.00 O ATOM 1572 CB LYS A 101 11.903 10.326 7.014 1.00 0.00 C ATOM 1573 CG LYS A 101 11.307 11.470 7.816 1.00 0.00 C ATOM 1574 CD LYS A 101 12.291 12.618 7.966 1.00 0.00 C ATOM 1575 CE LYS A 101 11.898 13.544 9.107 1.00 0.00 C ATOM 1576 NZ LYS A 101 12.515 14.892 8.965 1.00 0.00 N ATOM 0 H LYS A 101 9.864 9.790 5.687 1.00 0.00 H new ATOM 0 HA LYS A 101 12.101 11.553 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.389 9.402 7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.948 10.201 7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.402 11.827 7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.013 11.110 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.290 12.221 8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.336 13.184 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.813 13.643 9.137 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.205 13.102 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.223 15.493 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.551 14.801 8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.203 15.325 8.072 1.00 0.00 H new ATOM 1590 N LEU A 102 12.738 9.582 3.466 1.00 0.00 N ATOM 1591 CA LEU A 102 13.610 8.724 2.671 1.00 0.00 C ATOM 1592 C LEU A 102 14.309 9.522 1.575 1.00 0.00 C ATOM 1593 O LEU A 102 13.845 10.592 1.181 1.00 0.00 O ATOM 1594 CB LEU A 102 12.805 7.580 2.052 1.00 0.00 C ATOM 1595 CG LEU A 102 11.598 7.097 2.855 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.628 6.341 1.960 1.00 0.00 C ATOM 1597 CD2 LEU A 102 12.046 6.222 4.017 1.00 0.00 C ATOM 0 H LEU A 102 12.108 10.167 2.917 1.00 0.00 H new ATOM 0 HA LEU A 102 14.371 8.309 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.458 7.897 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.475 6.734 1.896 1.00 0.00 H new ATOM 0 HG LEU A 102 11.083 7.969 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.775 6.005 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.281 6.998 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.131 5.477 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.173 5.887 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.585 5.356 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.701 6.796 4.673 1.00 0.00 H new TER 1609 LEU A 102